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

C21H23ClN2O2 — CID 109048558

IUPAC4-N-(3-chlorophenyl)-1-N-cycloheptylbenzene-1,4-dicarboxamide
SMILESO=C(Nc1cccc(Cl)c1)c1ccc(C(=O)NC2CCCCCC2)cc1
InChIInChI=1S/C21H23ClN2O2/c22-17-6-5-9-19(14-17)24-21(26)16-12-10-15(11-13-16)20(25)23-18-7-3-1-2-4-8-18/h5-6,9-14,18H,1-4,7-8H2,(H,23,25)(H,24,26)
InChIKeyWCZOISKAIPUHBH-UHFFFAOYSA-N
MW370.88 g/mol
LogP5.04
Rot. Bonds4

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

4-N-(3-chlorophenyl)-1-N-cycloheptylbenzene-1,4-dicarboxamide (PubChem CID 109048558) has the molecular formula C21H23ClN2O2 and a molecular weight of 370.88 g/mol. Its IUPAC name is 4-N-(3-chlorophenyl)-1-N-cycloheptylbenzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(3-chlorophenyl)-1-N-cycloheptylbenzene-1,4-dicarboxamide
PubChem CID109048558
Molecular FormulaC21H23ClN2O2
Molecular Weight370.88 g/mol
Exact Mass370.14
IUPAC Name4-N-(3-chlorophenyl)-1-N-cycloheptylbenzene-1,4-dicarboxamide
SMILESO=C(Nc1cccc(Cl)c1)c1ccc(C(=O)NC2CCCCCC2)cc1
InChIInChI=1S/C21H23ClN2O2/c22-17-6-5-9-19(14-17)24-21(26)16-12-10-15(11-13-16)20(25)23-18-7-3-1-2-4-8-18/h5-6,9-14,18H,1-4,7-8H2,(H,23,25)(H,24,26)
InChIKeyWCZOISKAIPUHBH-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

3-[(3-chlorobenzoyl)amino]-N-cyclohexylbenzamide
CID 17170567
3-N-(3-chlorophenyl)-5-N-cyclohexylpyridine-3,5-dicarboxamide
CID 109103090
3-N-(3-chlorophenyl)-5-N-cyclopentylpyridine-3,5-dicarboxamide
CID 109102765
2-N-(3-chlorophenyl)-6-N-cyclopentylpyridine-2,6-dicarboxamide
CID 109095035
1-N-cyclopentyl-4-N-(3-methylphenyl)benzene-1,4-dicarboxamide
CID 109044466
4-N-(4-chlorophenyl)-1-N-cyclopentylbenzene-1,4-dicarboxamide
CID 109044491
1-N-(4-chlorophenyl)-3-N-cycloheptylbenzene-1,3-dicarboxamide
CID 109056113
N-cyclopentyl-3-[(4-methylbenzoyl)amino]benzamide
CID 2221852
2-(3-chloroanilino)-N-cyclohexylpyrimidine-5-carboxamide
CID 109250380
2-(3-chloroanilino)-N-cycloheptylpyrimidine-5-carboxamide
CID 109263115
N-(3-chlorophenyl)-2-(cycloheptylamino)pyrimidine-5-carboxamide
CID 109263215
3-chloro-N-[[4-(cyclohexylcarbamoyl)phenyl]carbamothioyl]benzamide
CID 28587912

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-chlorophenyl)-1-N-cycloheptylbenzene-1,4-dicarboxamide?
The IUPAC name of 4-N-(3-chlorophenyl)-1-N-cycloheptylbenzene-1,4-dicarboxamide (CID 109048558) is 4-N-(3-chlorophenyl)-1-N-cycloheptylbenzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(3-chlorophenyl)-1-N-cycloheptylbenzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-(3-chlorophenyl)-1-N-cycloheptylbenzene-1,4-dicarboxamide is O=C(Nc1cccc(Cl)c1)c1ccc(C(=O)NC2CCCCCC2)cc1.
What is the InChIKey of 4-N-(3-chlorophenyl)-1-N-cycloheptylbenzene-1,4-dicarboxamide?
The InChIKey is WCZOISKAIPUHBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O2/c22-17-6-5-9-19(14-17)24-21(26)16-12-10-15(11-13-16)20(25)23-18-7-3-1-2-4-8-18/h5-6,9-14,18H,1-4,7-8H2,(H,23,25)(H,24,26).
What are the key properties of 4-N-(3-chlorophenyl)-1-N-cycloheptylbenzene-1,4-dicarboxamide?
4-N-(3-chlorophenyl)-1-N-cycloheptylbenzene-1,4-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 4-N-(3-chlorophenyl)-1-N-cycloheptylbenzene-1,4-dicarboxamide is sourced from PubChem (CID 109048558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).