3-[[1-(3-chlorophenyl)cyclohexanecarbonyl]amino]-N-cyclopropylbenzamide

C23H25ClN2O2 — CID 134047957

IUPAC3-[[1-(3-chlorophenyl)cyclohexanecarbonyl]amino]-N-cyclopropylbenzamide
SMILESO=C(NC1CC1)c1cccc(NC(=O)C2(c3cccc(Cl)c3)CCCCC2)c1
InChIInChI=1S/C23H25ClN2O2/c24-18-8-5-7-17(15-18)23(12-2-1-3-13-23)22(28)26-20-9-4-6-16(14-20)21(27)25-19-10-11-19/h4-9,14-15,19H,1-3,10-13H2,(H,25,27)(H,26,28)
InChIKeyDDWNDUVSCDNWDW-UHFFFAOYSA-N
MW396.92 g/mol
LogP5.07
Rot. Bonds5

About 3-[[1-(3-chlorophenyl)cyclohexanecarbonyl]amino]-N-cyclopropylbenzamide

3-[[1-(3-chlorophenyl)cyclohexanecarbonyl]amino]-N-cyclopropylbenzamide (PubChem CID 134047957) has the molecular formula C23H25ClN2O2 and a molecular weight of 396.92 g/mol. Its IUPAC name is 3-[[1-(3-chlorophenyl)cyclohexanecarbonyl]amino]-N-cyclopropylbenzamide.

Molecular Properties

Compound Name3-[[1-(3-chlorophenyl)cyclohexanecarbonyl]amino]-N-cyclopropylbenzamide
PubChem CID134047957
Molecular FormulaC23H25ClN2O2
Molecular Weight396.92 g/mol
Exact Mass396.16
IUPAC Name3-[[1-(3-chlorophenyl)cyclohexanecarbonyl]amino]-N-cyclopropylbenzamide
SMILESO=C(NC1CC1)c1cccc(NC(=O)C2(c3cccc(Cl)c3)CCCCC2)c1
InChIInChI=1S/C23H25ClN2O2/c24-18-8-5-7-17(15-18)23(12-2-1-3-13-23)22(28)26-20-9-4-6-16(14-20)21(27)25-19-10-11-19/h4-9,14-15,19H,1-3,10-13H2,(H,25,27)(H,26,28)
InChIKeyDDWNDUVSCDNWDW-UHFFFAOYSA-N
XLogP5.07
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.92
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3-chlorobenzoyl)amino]-N-cyclohexylbenzamide
CID 17170567
1-(3-chlorophenyl)-N-pyridin-4-ylcyclohexane-1-carboxamide
CID 60542537
N-(4-aminocyclohexyl)-1-(3-chlorophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119478308
1-(3-chlorophenyl)-N-piperidin-4-ylcyclohexane-1-carboxamide
CID 119387766
1-(3-chlorophenyl)-N-(3-fluorophenyl)cyclobutane-1-carboxamide
CID 31779380
4-[[1-(3-bromophenyl)cyclopropanecarbonyl]amino]-N-cyclopropylbenzamide
CID 55556786
3-[[2-[(3-chlorobenzoyl)amino]acetyl]amino]-N-cyclopropylbenzamide
CID 26110931
N-(3-acetamidophenyl)-1-(3-chlorophenyl)cyclopropane-1-carboxamide
CID 110439128
4-N-(3-chlorophenyl)-1-N-cycloheptylbenzene-1,4-dicarboxamide
CID 109048558
N-cyclopropyl-3-[(2,2-dichloro-1-methylcyclopropanecarbonyl)amino]benzamide
CID 46536638
2-chloro-N-cyclohexyl-5-[(1-phenylcyclobutanecarbonyl)amino]benzamide
CID 52707482
2-[4-[1-(3-chlorophenyl)cyclohexanecarbonyl]piperazin-1-yl]-N-cyclopropylacetamide
CID 134047573

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(3-chlorophenyl)cyclohexanecarbonyl]amino]-N-cyclopropylbenzamide?
The IUPAC name of 3-[[1-(3-chlorophenyl)cyclohexanecarbonyl]amino]-N-cyclopropylbenzamide (CID 134047957) is 3-[[1-(3-chlorophenyl)cyclohexanecarbonyl]amino]-N-cyclopropylbenzamide.
What is the SMILES notation for 3-[[1-(3-chlorophenyl)cyclohexanecarbonyl]amino]-N-cyclopropylbenzamide?
The canonical SMILES for 3-[[1-(3-chlorophenyl)cyclohexanecarbonyl]amino]-N-cyclopropylbenzamide is O=C(NC1CC1)c1cccc(NC(=O)C2(c3cccc(Cl)c3)CCCCC2)c1.
What is the InChIKey of 3-[[1-(3-chlorophenyl)cyclohexanecarbonyl]amino]-N-cyclopropylbenzamide?
The InChIKey is DDWNDUVSCDNWDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN2O2/c24-18-8-5-7-17(15-18)23(12-2-1-3-13-23)22(28)26-20-9-4-6-16(14-20)21(27)25-19-10-11-19/h4-9,14-15,19H,1-3,10-13H2,(H,25,27)(H,26,28).
What are the key properties of 3-[[1-(3-chlorophenyl)cyclohexanecarbonyl]amino]-N-cyclopropylbenzamide?
3-[[1-(3-chlorophenyl)cyclohexanecarbonyl]amino]-N-cyclopropylbenzamide has a molecular weight of 396.92 g/mol, XLogP of 5.07, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(3-chlorophenyl)cyclohexanecarbonyl]amino]-N-cyclopropylbenzamide is sourced from PubChem (CID 134047957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).