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Summary Geometry Related PDB entries

V2F

Summary

Name:	2-[[3,5-bis(chloranyl)phenyl]carbamoylamino]-4-(trifluoromethyloxy)benzamide
Synonyms:	2-[(3,5-dichlorophenyl)carbamoylamino]-4-(trifluoromethoxy)benzamide
Formula:	C15 H10 Cl2 F3 N3 O3
Formal charge:	0
Formula weight:	408.159 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.7	2-[[3,5-bis(chloranyl)phenyl]carbamoylamino]-4-(trifluoromethyloxy)benzamide

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C15H10Cl2F3N3O3/c16-7-3-8(17)5-9(4-7)22-14(25)23-12-6-10(26-15(18,19)20)1-2-11(12)13(21)24/h1-6H,(H2,21,24)(H2,22,23,25)
InChIKey	InChI	1.06	OOVNLFNTPKRWNU-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	NC(=O)c1ccc(OC(F)(F)F)cc1NC(=O)Nc2cc(Cl)cc(Cl)c2
SMILES	CACTVS	3.385	NC(=O)c1ccc(OC(F)(F)F)cc1NC(=O)Nc2cc(Cl)cc(Cl)c2
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1cc(c(cc1OC(F)(F)F)NC(=O)Nc2cc(cc(c2)Cl)Cl)C(=O)N
SMILES	OpenEye OEToolkits	2.0.7	c1cc(c(cc1OC(F)(F)F)NC(=O)Nc2cc(cc(c2)Cl)Cl)C(=O)N

222415

PDB entries from 2024-07-10

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