2-(cyclohexanecarbonylamino)-N-[3-(trifluoromethyl)phenyl]benzamide

C21H21F3N2O2 — CID 1313916

IUPAC2-(cyclohexanecarbonylamino)-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)c1ccccc1NC(=O)C1CCCCC1
InChIInChI=1S/C21H21F3N2O2/c22-21(23,24)15-9-6-10-16(13-15)25-20(28)17-11-4-5-12-18(17)26-19(27)14-7-2-1-3-8-14/h4-6,9-14H,1-3,7-8H2,(H,25,28)(H,26,27)
InChIKeyVULKPKSAGRKXDW-UHFFFAOYSA-N
MW390.41 g/mol
LogP5.48
Rot. Bonds4

About 2-(cyclohexanecarbonylamino)-N-[3-(trifluoromethyl)phenyl]benzamide

2-(cyclohexanecarbonylamino)-N-[3-(trifluoromethyl)phenyl]benzamide (PubChem CID 1313916) has the molecular formula C21H21F3N2O2 and a molecular weight of 390.41 g/mol. Its IUPAC name is 2-(cyclohexanecarbonylamino)-N-[3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name2-(cyclohexanecarbonylamino)-N-[3-(trifluoromethyl)phenyl]benzamide
PubChem CID1313916
Molecular FormulaC21H21F3N2O2
Molecular Weight390.41 g/mol
Exact Mass390.16
IUPAC Name2-(cyclohexanecarbonylamino)-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)c1ccccc1NC(=O)C1CCCCC1
InChIInChI=1S/C21H21F3N2O2/c22-21(23,24)15-9-6-10-16(13-15)25-20(28)17-11-4-5-12-18(17)26-19(27)14-7-2-1-3-8-14/h4-6,9-14H,1-3,7-8H2,(H,25,28)(H,26,27)
InChIKeyVULKPKSAGRKXDW-UHFFFAOYSA-N
XLogP5.48
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.41
LogP ≤ 55.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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N-[3-(trifluoromethyl)phenyl]cyclohexanecarboxamide
CID 874898
2-(cyclohexanecarbonylamino)-N-[3-[2-(trifluoromethyl)phenyl]phenyl]benzamide
CID 56593308
3-(cyclopentanecarbonylamino)-N-[3-(trifluoromethyl)phenyl]benzamide
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2-(cyclobutanecarbonylamino)-N-phenylbenzamide
CID 17426180
1-N,4-N-bis[3-(trifluoromethyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 17197875
N-(4-bromophenyl)-2-(cyclohexanecarbonylamino)benzamide
CID 90010681
2-(cyclohexanecarbonylamino)-N-(3,4-dimethoxyphenyl)benzamide
CID 110602595
2-[(4-chlorobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 90011775
2-[(3-iodobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 4107878
N-[2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 24671974

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexanecarbonylamino)-N-[3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 2-(cyclohexanecarbonylamino)-N-[3-(trifluoromethyl)phenyl]benzamide (CID 1313916) is 2-(cyclohexanecarbonylamino)-N-[3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 2-(cyclohexanecarbonylamino)-N-[3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 2-(cyclohexanecarbonylamino)-N-[3-(trifluoromethyl)phenyl]benzamide is O=C(Nc1cccc(C(F)(F)F)c1)c1ccccc1NC(=O)C1CCCCC1.
What is the InChIKey of 2-(cyclohexanecarbonylamino)-N-[3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is VULKPKSAGRKXDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N2O2/c22-21(23,24)15-9-6-10-16(13-15)25-20(28)17-11-4-5-12-18(17)26-19(27)14-7-2-1-3-8-14/h4-6,9-14H,1-3,7-8H2,(H,25,28)(H,26,27).
What are the key properties of 2-(cyclohexanecarbonylamino)-N-[3-(trifluoromethyl)phenyl]benzamide?
2-(cyclohexanecarbonylamino)-N-[3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 390.41 g/mol, XLogP of 5.48, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexanecarbonylamino)-N-[3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 1313916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).