1-N-(4-chlorophenyl)-3-N-cycloheptylbenzene-1,3-dicarboxamide

C21H23ClN2O2 — CID 109056113

IUPAC1-N-(4-chlorophenyl)-3-N-cycloheptylbenzene-1,3-dicarboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1cccc(C(=O)NC2CCCCCC2)c1
InChIInChI=1S/C21H23ClN2O2/c22-17-10-12-19(13-11-17)24-21(26)16-7-5-6-15(14-16)20(25)23-18-8-3-1-2-4-9-18/h5-7,10-14,18H,1-4,8-9H2,(H,23,25)(H,24,26)
InChIKeyOPSABAOPKAPIIP-UHFFFAOYSA-N
MW370.88 g/mol
LogP5.04
Rot. Bonds4

About 1-N-(4-chlorophenyl)-3-N-cycloheptylbenzene-1,3-dicarboxamide

1-N-(4-chlorophenyl)-3-N-cycloheptylbenzene-1,3-dicarboxamide (PubChem CID 109056113) has the molecular formula C21H23ClN2O2 and a molecular weight of 370.88 g/mol. Its IUPAC name is 1-N-(4-chlorophenyl)-3-N-cycloheptylbenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-(4-chlorophenyl)-3-N-cycloheptylbenzene-1,3-dicarboxamide
PubChem CID109056113
Molecular FormulaC21H23ClN2O2
Molecular Weight370.88 g/mol
Exact Mass370.14
IUPAC Name1-N-(4-chlorophenyl)-3-N-cycloheptylbenzene-1,3-dicarboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1cccc(C(=O)NC2CCCCCC2)c1
InChIInChI=1S/C21H23ClN2O2/c22-17-10-12-19(13-11-17)24-21(26)16-7-5-6-15(14-16)20(25)23-18-8-3-1-2-4-9-18/h5-7,10-14,18H,1-4,8-9H2,(H,23,25)(H,24,26)
InChIKeyOPSABAOPKAPIIP-UHFFFAOYSA-N
XLogP5.04
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.88
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-N-(4-chlorophenyl)-1-N-cyclopentylbenzene-1,4-dicarboxamide
CID 109044491
3-N-cyclohexyl-1-N-(4-propan-2-ylphenyl)benzene-1,3-dicarboxamide
CID 109052210
3-[(3-chlorobenzoyl)amino]-N-cyclohexylbenzamide
CID 17170567
methyl 4-[[3-(cycloheptylcarbamoyl)benzoyl]amino]benzoate
CID 109056131
3-N-cyclohexyl-1-N-(3,4-dimethylphenyl)benzene-1,3-dicarboxamide
CID 109052202
4-N-(3-chlorophenyl)-1-N-cycloheptylbenzene-1,4-dicarboxamide
CID 109048558
3-amino-N-[4-(cyclohexylcarbamoyl)phenyl]benzamide;hydrochloride
CID 119747179
4-benzamido-N-cyclopentylbenzamide
CID 1262350
1-N-(3-acetylphenyl)-3-N-cyclopentylbenzene-1,3-dicarboxamide
CID 109051927
3-N-(3-chlorophenyl)-5-N-cyclohexylpyridine-3,5-dicarboxamide
CID 109103090
3-chloro-N-[[4-(cyclohexylcarbamoyl)phenyl]carbamothioyl]benzamide
CID 28587912
3-N-cyclopentyl-1-N-(2,3-dichlorophenyl)benzene-1,3-dicarboxamide
CID 109051954

Frequently Asked Questions

What is the IUPAC name of 1-N-(4-chlorophenyl)-3-N-cycloheptylbenzene-1,3-dicarboxamide?
The IUPAC name of 1-N-(4-chlorophenyl)-3-N-cycloheptylbenzene-1,3-dicarboxamide (CID 109056113) is 1-N-(4-chlorophenyl)-3-N-cycloheptylbenzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N-(4-chlorophenyl)-3-N-cycloheptylbenzene-1,3-dicarboxamide?
The canonical SMILES for 1-N-(4-chlorophenyl)-3-N-cycloheptylbenzene-1,3-dicarboxamide is O=C(Nc1ccc(Cl)cc1)c1cccc(C(=O)NC2CCCCCC2)c1.
What is the InChIKey of 1-N-(4-chlorophenyl)-3-N-cycloheptylbenzene-1,3-dicarboxamide?
The InChIKey is OPSABAOPKAPIIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O2/c22-17-10-12-19(13-11-17)24-21(26)16-7-5-6-15(14-16)20(25)23-18-8-3-1-2-4-9-18/h5-7,10-14,18H,1-4,8-9H2,(H,23,25)(H,24,26).
What are the key properties of 1-N-(4-chlorophenyl)-3-N-cycloheptylbenzene-1,3-dicarboxamide?
1-N-(4-chlorophenyl)-3-N-cycloheptylbenzene-1,3-dicarboxamide has a molecular weight of 370.88 g/mol, XLogP of 5.04, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-chlorophenyl)-3-N-cycloheptylbenzene-1,3-dicarboxamide is sourced from PubChem (CID 109056113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).