N-[2-chloro-5-(trifluoromethyl)phenyl]-2-fluoro-6-[[3-(trifluoromethyl)benzoyl]amino]benzamide

C22H12ClF7N2O2 — CID 2801245

IUPACN-[2-chloro-5-(trifluoromethyl)phenyl]-2-fluoro-6-[[3-(trifluoromethyl)benzoyl]amino]benzamide
SMILESO=C(Nc1cccc(F)c1C(=O)Nc1cc(C(F)(F)F)ccc1Cl)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C22H12ClF7N2O2/c23-14-8-7-13(22(28,29)30)10-17(14)32-20(34)18-15(24)5-2-6-16(18)31-19(33)11-3-1-4-12(9-11)21(25,26)27/h1-10H,(H,31,33)(H,32,34)
InChIKeyMMFKSTVUCALUKS-UHFFFAOYSA-N
MW504.79 g/mol
LogP7.02
Rot. Bonds4

About N-[2-chloro-5-(trifluoromethyl)phenyl]-2-fluoro-6-[[3-(trifluoromethyl)benzoyl]amino]benzamide

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-fluoro-6-[[3-(trifluoromethyl)benzoyl]amino]benzamide (PubChem CID 2801245) has the molecular formula C22H12ClF7N2O2 and a molecular weight of 504.79 g/mol. Its IUPAC name is N-[2-chloro-5-(trifluoromethyl)phenyl]-2-fluoro-6-[[3-(trifluoromethyl)benzoyl]amino]benzamide.

Molecular Properties

Compound NameN-[2-chloro-5-(trifluoromethyl)phenyl]-2-fluoro-6-[[3-(trifluoromethyl)benzoyl]amino]benzamide
PubChem CID2801245
Molecular FormulaC22H12ClF7N2O2
Molecular Weight504.79 g/mol
Exact Mass504.05
IUPAC NameN-[2-chloro-5-(trifluoromethyl)phenyl]-2-fluoro-6-[[3-(trifluoromethyl)benzoyl]amino]benzamide
SMILESO=C(Nc1cccc(F)c1C(=O)Nc1cc(C(F)(F)F)ccc1Cl)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C22H12ClF7N2O2/c23-14-8-7-13(22(28,29)30)10-17(14)32-20(34)18-15(24)5-2-6-16(18)31-19(33)11-3-1-4-12(9-11)21(25,26)27/h1-10H,(H,31,33)(H,32,34)
InChIKeyMMFKSTVUCALUKS-UHFFFAOYSA-N
XLogP7.02
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.79
LogP ≤ 57.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-chloro-5-(trifluoromethyl)phenyl]-2,6-difluorobenzamide
CID 17173190
N-(5-bromo-2-chlorophenyl)-3-(trifluoromethyl)benzamide
CID 62909273
N-[2-chloro-5-(trifluoromethyl)phenyl]-3-(phenylsulfamoyl)benzamide
CID 19257338
2,6-difluoro-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 26289494
N-[2-chloro-5-(trifluoromethyl)phenyl]-3-(2-methylpropanoylamino)benzamide
CID 1302692
N-[4-chloro-3-(methylamino)phenyl]-3-(trifluoromethyl)benzamide
CID 143609640
N-(2-bromophenyl)-3-(trifluoromethyl)benzamide
CID 2561322
methyl 4-[[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl]benzoate
CID 54787072
N-[2-chloro-5-(trifluoromethyl)phenyl]-3-phenylmethoxybenzamide
CID 2288753
3-fluoro-N-[2-[[4-(trifluoromethyl)benzoyl]amino]phenyl]benzamide
CID 1207911
N-(2-fluoro-4-methylphenyl)-3-(trifluoromethyl)benzamide
CID 26522930
N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-(trifluoromethyl)benzamide
CID 26593108

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-fluoro-6-[[3-(trifluoromethyl)benzoyl]amino]benzamide?
The IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-fluoro-6-[[3-(trifluoromethyl)benzoyl]amino]benzamide (CID 2801245) is N-[2-chloro-5-(trifluoromethyl)phenyl]-2-fluoro-6-[[3-(trifluoromethyl)benzoyl]amino]benzamide.
What is the SMILES notation for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-fluoro-6-[[3-(trifluoromethyl)benzoyl]amino]benzamide?
The canonical SMILES for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-fluoro-6-[[3-(trifluoromethyl)benzoyl]amino]benzamide is O=C(Nc1cccc(F)c1C(=O)Nc1cc(C(F)(F)F)ccc1Cl)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-fluoro-6-[[3-(trifluoromethyl)benzoyl]amino]benzamide?
The InChIKey is MMFKSTVUCALUKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H12ClF7N2O2/c23-14-8-7-13(22(28,29)30)10-17(14)32-20(34)18-15(24)5-2-6-16(18)31-19(33)11-3-1-4-12(9-11)21(25,26)27/h1-10H,(H,31,33)(H,32,34).
What are the key properties of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-fluoro-6-[[3-(trifluoromethyl)benzoyl]amino]benzamide?
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-fluoro-6-[[3-(trifluoromethyl)benzoyl]amino]benzamide has a molecular weight of 504.79 g/mol, XLogP of 7.02, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-fluoro-6-[[3-(trifluoromethyl)benzoyl]amino]benzamide is sourced from PubChem (CID 2801245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).