2-(4-chlorobenzoyl)-N-cycloheptylbenzamide

C21H22ClNO2 — CID 11841438

IUPAC2-(4-chlorobenzoyl)-N-cycloheptylbenzamide
SMILESO=C(NC1CCCCCC1)c1ccccc1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C21H22ClNO2/c22-16-13-11-15(12-14-16)20(24)18-9-5-6-10-19(18)21(25)23-17-7-3-1-2-4-8-17/h5-6,9-14,17H,1-4,7-8H2,(H,23,25)
InChIKeyYSIOIISYCWPRRZ-UHFFFAOYSA-N
MW355.87 g/mol
LogP5.02
Rot. Bonds4

About 2-(4-chlorobenzoyl)-N-cycloheptylbenzamide

2-(4-chlorobenzoyl)-N-cycloheptylbenzamide (PubChem CID 11841438) has the molecular formula C21H22ClNO2 and a molecular weight of 355.87 g/mol. Its IUPAC name is 2-(4-chlorobenzoyl)-N-cycloheptylbenzamide.

Molecular Properties

Compound Name2-(4-chlorobenzoyl)-N-cycloheptylbenzamide
PubChem CID11841438
Molecular FormulaC21H22ClNO2
Molecular Weight355.87 g/mol
Exact Mass355.13
IUPAC Name2-(4-chlorobenzoyl)-N-cycloheptylbenzamide
SMILESO=C(NC1CCCCCC1)c1ccccc1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C21H22ClNO2/c22-16-13-11-15(12-14-16)20(24)18-9-5-6-10-19(18)21(25)23-17-7-3-1-2-4-8-17/h5-6,9-14,17H,1-4,7-8H2,(H,23,25)
InChIKeyYSIOIISYCWPRRZ-UHFFFAOYSA-N
XLogP5.02
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.87
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorobenzoyl)-N-cyclopentylbenzamide
CID 11841269
2-(4-chlorobenzoyl)-N-[3-(propan-2-ylcarbamoyl)cyclohexyl]benzamide
CID 86962081
2-chloro-N-cyclopentylbenzamide
CID 669043
4-[[2-(4-chlorobenzoyl)benzoyl]amino]-N-phenylpiperidine-1-carboxamide
CID 46530497
2-[(4-chlorobenzoyl)carbamothioylamino]-N-cyclohexylbenzamide
CID 1015644
2-(4-chlorobenzoyl)-N-(dicyclopropylmethyl)benzamide
CID 55536405
[2-(cyclopropylamino)-2-oxoethyl] 2-(4-chlorobenzoyl)benzoate
CID 2630625
2-(4-chlorobenzoyl)-N-[(2S)-oxan-2-yl]oxybenzamide
CID 52828045
5-chloro-N-cyclohexyl-2-methylbenzamide
CID 83407385
5-chloro-N-cycloheptyl-2-fluorobenzamide
CID 9082182
2-chloro-N-cycloheptylbenzamide;pyrrolidine
CID 143233402
4-chloro-N-cycloheptyl-2-fluorobenzamide
CID 26002204

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorobenzoyl)-N-cycloheptylbenzamide?
The IUPAC name of 2-(4-chlorobenzoyl)-N-cycloheptylbenzamide (CID 11841438) is 2-(4-chlorobenzoyl)-N-cycloheptylbenzamide.
What is the SMILES notation for 2-(4-chlorobenzoyl)-N-cycloheptylbenzamide?
The canonical SMILES for 2-(4-chlorobenzoyl)-N-cycloheptylbenzamide is O=C(NC1CCCCCC1)c1ccccc1C(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorobenzoyl)-N-cycloheptylbenzamide?
The InChIKey is YSIOIISYCWPRRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClNO2/c22-16-13-11-15(12-14-16)20(24)18-9-5-6-10-19(18)21(25)23-17-7-3-1-2-4-8-17/h5-6,9-14,17H,1-4,7-8H2,(H,23,25).
What are the key properties of 2-(4-chlorobenzoyl)-N-cycloheptylbenzamide?
2-(4-chlorobenzoyl)-N-cycloheptylbenzamide has a molecular weight of 355.87 g/mol, XLogP of 5.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorobenzoyl)-N-cycloheptylbenzamide is sourced from PubChem (CID 11841438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).