2-[(4-chlorobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide

C21H14ClF3N2O2 — CID 90011775

IUPAC2-[(4-chlorobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1)c1ccc(Cl)cc1
InChIInChI=1S/C21H14ClF3N2O2/c22-15-10-8-13(9-11-15)19(28)27-18-7-2-1-6-17(18)20(29)26-16-5-3-4-14(12-16)21(23,24)25/h1-12H,(H,26,29)(H,27,28)
InChIKeyJQVQUXNWJXEUMS-UHFFFAOYSA-N
MW418.80 g/mol
LogP5.86
Rot. Bonds4

About 2-[(4-chlorobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide

2-[(4-chlorobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide (PubChem CID 90011775) has the molecular formula C21H14ClF3N2O2 and a molecular weight of 418.80 g/mol. Its IUPAC name is 2-[(4-chlorobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name2-[(4-chlorobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
PubChem CID90011775
Molecular FormulaC21H14ClF3N2O2
Molecular Weight418.80 g/mol
Exact Mass418.07
IUPAC Name2-[(4-chlorobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1)c1ccc(Cl)cc1
InChIInChI=1S/C21H14ClF3N2O2/c22-15-10-8-13(9-11-15)19(28)27-18-7-2-1-6-17(18)20(29)26-16-5-3-4-14(12-16)21(23,24)25/h1-12H,(H,26,29)(H,27,28)
InChIKeyJQVQUXNWJXEUMS-UHFFFAOYSA-N
XLogP5.86
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.80
LogP ≤ 55.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-iodobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 4107878
N-[3-[[(4-chlorobenzoyl)amino]carbamoyl]phenyl]-3-(trifluoromethyl)benzamide
CID 126224742
2-chloro-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 3609395
N-[2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 24671974
4-chloro-2-fluoro-N-[3-(trifluoromethyl)phenyl]benzamide
CID 26274156
4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 4680949
4-chloro-N-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]benzamide
CID 2992727
4-bromo-N-[3-(trifluoromethyl)phenyl]benzamide
CID 788568
4-sulfanyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 107020049
N-[2-[(3-chlorophenyl)carbamoyl]phenyl]pyridine-4-carboxamide
CID 167800033
4-[5-amino-3-(4-chlorophenyl)pyrazol-1-yl]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 44763083
4-propan-2-yl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 887218

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 2-[(4-chlorobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide (CID 90011775) is 2-[(4-chlorobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 2-[(4-chlorobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 2-[(4-chlorobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide is O=C(Nc1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1)c1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is JQVQUXNWJXEUMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClF3N2O2/c22-15-10-8-13(9-11-15)19(28)27-18-7-2-1-6-17(18)20(29)26-16-5-3-4-14(12-16)21(23,24)25/h1-12H,(H,26,29)(H,27,28).
What are the key properties of 2-[(4-chlorobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide?
2-[(4-chlorobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 418.80 g/mol, XLogP of 5.86, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 90011775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).