1-(4-chlorophenyl)-N-(4-cyanophenyl)cyclopropane-1-carboxamide

C17H13ClN2O — CID 26289781

IUPAC1-(4-chlorophenyl)-N-(4-cyanophenyl)cyclopropane-1-carboxamide
SMILESN#Cc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C17H13ClN2O/c18-14-5-3-13(4-6-14)17(9-10-17)16(21)20-15-7-1-12(11-19)2-8-15/h1-8H,9-10H2,(H,20,21)
InChIKeyUCFHDXMJMMALRT-UHFFFAOYSA-N
MW296.76 g/mol
LogP3.88
Rot. Bonds3

About 1-(4-chlorophenyl)-N-(4-cyanophenyl)cyclopropane-1-carboxamide

1-(4-chlorophenyl)-N-(4-cyanophenyl)cyclopropane-1-carboxamide (PubChem CID 26289781) has the molecular formula C17H13ClN2O and a molecular weight of 296.76 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-(4-cyanophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-(4-cyanophenyl)cyclopropane-1-carboxamide
PubChem CID26289781
Molecular FormulaC17H13ClN2O
Molecular Weight296.76 g/mol
Exact Mass296.07
IUPAC Name1-(4-chlorophenyl)-N-(4-cyanophenyl)cyclopropane-1-carboxamide
SMILESN#Cc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C17H13ClN2O/c18-14-5-3-13(4-6-14)17(9-10-17)16(21)20-15-7-1-12(11-19)2-8-15/h1-8H,9-10H2,(H,20,21)
InChIKeyUCFHDXMJMMALRT-UHFFFAOYSA-N
XLogP3.88
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.76
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-aminophenyl)-N-(4-chlorophenyl)cyclopropane-1-carboxamide
CID 99706799
1-(4-chlorophenyl)-N-phenylcyclopentane-1-carboxamide
CID 22236982
1-(4-chlorophenyl)-N-(4-phenylmethoxyphenyl)cyclopropane-1-carboxamide
CID 2525284
4-N-(4-chlorophenyl)-1-N-(4-cyanophenyl)benzene-1,4-dicarboxamide
CID 109049994
1-(4-chlorophenyl)-N-(4-methylsulfanylphenyl)cyclobutane-1-carboxamide
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1-N-(4-cyanophenyl)-1-N'-(2,5-dichlorophenyl)cyclopropane-1,1-dicarboxamide
CID 108983806
ethyl 4-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]benzoate
CID 8885490
2-[4-[[1-(4-chlorophenyl)cyclopentanecarbonyl]amino]phenoxy]acetic acid
CID 100665395
1-[(4-cyanophenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 62095222
N-(4-cyanophenyl)-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide
CID 78816005
N-(4-chlorophenyl)-N'-(4-cyanophenyl)-2,2-dimethylpropanediamide
CID 108969023
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CID 62983110

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-(4-cyanophenyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-(4-cyanophenyl)cyclopropane-1-carboxamide (CID 26289781) is 1-(4-chlorophenyl)-N-(4-cyanophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-(4-cyanophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-(4-cyanophenyl)cyclopropane-1-carboxamide is N#Cc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CC2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-(4-cyanophenyl)cyclopropane-1-carboxamide?
The InChIKey is UCFHDXMJMMALRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O/c18-14-5-3-13(4-6-14)17(9-10-17)16(21)20-15-7-1-12(11-19)2-8-15/h1-8H,9-10H2,(H,20,21).
What are the key properties of 1-(4-chlorophenyl)-N-(4-cyanophenyl)cyclopropane-1-carboxamide?
1-(4-chlorophenyl)-N-(4-cyanophenyl)cyclopropane-1-carboxamide has a molecular weight of 296.76 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-(4-cyanophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 26289781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).