3-[(3-chlorobenzoyl)amino]-N-cyclohexylbenzamide

C20H21ClN2O2 — CID 17170567

IUPAC3-[(3-chlorobenzoyl)amino]-N-cyclohexylbenzamide
SMILESO=C(Nc1cccc(C(=O)NC2CCCCC2)c1)c1cccc(Cl)c1
InChIInChI=1S/C20H21ClN2O2/c21-16-8-4-6-14(12-16)19(24)23-18-11-5-7-15(13-18)20(25)22-17-9-2-1-3-10-17/h4-8,11-13,17H,1-3,9-10H2,(H,22,25)(H,23,24)
InChIKeyYGGVYBVNHZIGFE-UHFFFAOYSA-N
MW356.85 g/mol
LogP4.65
Rot. Bonds4

About 3-[(3-chlorobenzoyl)amino]-N-cyclohexylbenzamide

3-[(3-chlorobenzoyl)amino]-N-cyclohexylbenzamide (PubChem CID 17170567) has the molecular formula C20H21ClN2O2 and a molecular weight of 356.85 g/mol. Its IUPAC name is 3-[(3-chlorobenzoyl)amino]-N-cyclohexylbenzamide.

Molecular Properties

Compound Name3-[(3-chlorobenzoyl)amino]-N-cyclohexylbenzamide
PubChem CID17170567
Molecular FormulaC20H21ClN2O2
Molecular Weight356.85 g/mol
Exact Mass356.13
IUPAC Name3-[(3-chlorobenzoyl)amino]-N-cyclohexylbenzamide
SMILESO=C(Nc1cccc(C(=O)NC2CCCCC2)c1)c1cccc(Cl)c1
InChIInChI=1S/C20H21ClN2O2/c21-16-8-4-6-14(12-16)19(24)23-18-11-5-7-15(13-18)20(25)22-17-9-2-1-3-10-17/h4-8,11-13,17H,1-3,9-10H2,(H,22,25)(H,23,24)
InChIKeyYGGVYBVNHZIGFE-UHFFFAOYSA-N
XLogP4.65
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.85
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-N-(3-chlorophenyl)-1-N-cycloheptylbenzene-1,4-dicarboxamide
CID 109048558
1-N-(4-chlorophenyl)-3-N-cycloheptylbenzene-1,3-dicarboxamide
CID 109056113
3-N-(3-chlorophenyl)-5-N-cyclohexylpyridine-3,5-dicarboxamide
CID 109103090
1-N-(3-acetylphenyl)-3-N-cyclopentylbenzene-1,3-dicarboxamide
CID 109051927
3-N-(3-chlorophenyl)-5-N-cyclopentylpyridine-3,5-dicarboxamide
CID 109102765
N-cyclopentyl-3-[(4-methylbenzoyl)amino]benzamide
CID 2221852
5-[(3-chlorobenzoyl)amino]-N-cyclohexyl-2-pyrrolidin-1-ylbenzamide
CID 42659848
3-[[2-(5-chloro-2-hydroxyphenyl)acetyl]amino]-N-cyclohexylbenzamide
CID 139348505
3-[[2-[(3-chlorobenzoyl)amino]acetyl]amino]-N-cyclopropylbenzamide
CID 26110931
2-N-(3-chlorophenyl)-6-N-cyclopentylpyridine-2,6-dicarboxamide
CID 109095035
3-chloro-N-[[4-(cyclohexylcarbamoyl)phenyl]carbamothioyl]benzamide
CID 28587912
3-chloro-N-[3-[(3-chlorobenzoyl)amino]phenyl]benzamide
CID 1369981

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chlorobenzoyl)amino]-N-cyclohexylbenzamide?
The IUPAC name of 3-[(3-chlorobenzoyl)amino]-N-cyclohexylbenzamide (CID 17170567) is 3-[(3-chlorobenzoyl)amino]-N-cyclohexylbenzamide.
What is the SMILES notation for 3-[(3-chlorobenzoyl)amino]-N-cyclohexylbenzamide?
The canonical SMILES for 3-[(3-chlorobenzoyl)amino]-N-cyclohexylbenzamide is O=C(Nc1cccc(C(=O)NC2CCCCC2)c1)c1cccc(Cl)c1.
What is the InChIKey of 3-[(3-chlorobenzoyl)amino]-N-cyclohexylbenzamide?
The InChIKey is YGGVYBVNHZIGFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O2/c21-16-8-4-6-14(12-16)19(24)23-18-11-5-7-15(13-18)20(25)22-17-9-2-1-3-10-17/h4-8,11-13,17H,1-3,9-10H2,(H,22,25)(H,23,24).
What are the key properties of 3-[(3-chlorobenzoyl)amino]-N-cyclohexylbenzamide?
3-[(3-chlorobenzoyl)amino]-N-cyclohexylbenzamide has a molecular weight of 356.85 g/mol, XLogP of 4.65, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chlorobenzoyl)amino]-N-cyclohexylbenzamide is sourced from PubChem (CID 17170567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).