1-(3-chlorophenyl)-N-(4-methoxyphenyl)cyclopropane-1-carboxamide

C17H16ClNO2 — CID 110439114

IUPAC1-(3-chlorophenyl)-N-(4-methoxyphenyl)cyclopropane-1-carboxamide
SMILESCOc1ccc(NC(=O)C2(c3cccc(Cl)c3)CC2)cc1
InChIInChI=1S/C17H16ClNO2/c1-21-15-7-5-14(6-8-15)19-16(20)17(9-10-17)12-3-2-4-13(18)11-12/h2-8,11H,9-10H2,1H3,(H,19,20)
InChIKeyHXLGXTNMQWLDGA-UHFFFAOYSA-N
MW301.77 g/mol
LogP4.02
Rot. Bonds4

About 1-(3-chlorophenyl)-N-(4-methoxyphenyl)cyclopropane-1-carboxamide

1-(3-chlorophenyl)-N-(4-methoxyphenyl)cyclopropane-1-carboxamide (PubChem CID 110439114) has the molecular formula C17H16ClNO2 and a molecular weight of 301.77 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-(4-methoxyphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-(4-methoxyphenyl)cyclopropane-1-carboxamide
PubChem CID110439114
Molecular FormulaC17H16ClNO2
Molecular Weight301.77 g/mol
Exact Mass301.09
IUPAC Name1-(3-chlorophenyl)-N-(4-methoxyphenyl)cyclopropane-1-carboxamide
SMILESCOc1ccc(NC(=O)C2(c3cccc(Cl)c3)CC2)cc1
InChIInChI=1S/C17H16ClNO2/c1-21-15-7-5-14(6-8-15)19-16(20)17(9-10-17)12-3-2-4-13(18)11-12/h2-8,11H,9-10H2,1H3,(H,19,20)
InChIKeyHXLGXTNMQWLDGA-UHFFFAOYSA-N
XLogP4.02
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.77
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorophenyl)-N-[4-(dimethylamino)phenyl]cyclopropane-1-carboxamide
CID 110439132
4-[[1-(3-chlorophenyl)cyclopropanecarbonyl]amino]-N-propan-2-ylbenzamide
CID 55887284
N-(3-acetamidophenyl)-1-(3-chlorophenyl)cyclopropane-1-carboxamide
CID 110439128
N-(3-amino-4-methoxyphenyl)-1-(3-chlorophenyl)cyclopentane-1-carboxamide
CID 119420235
1-(3-chlorophenyl)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]cyclobutane-1-carboxamide
CID 36545531
2-[[2-[4-[[1-(3-chlorophenyl)cyclopropanecarbonyl]amino]phenyl]acetyl]amino]acetic acid
CID 119224522
1-(3-chlorophenyl)-N-[4-[methoxy(methyl)sulfamoyl]phenyl]cyclohexane-1-carboxamide
CID 134047590
1-(3-chlorophenyl)-N-(2-methyl-4-pyridinyl)cyclopropane-1-carboxamide
CID 110439726
1-(3-chlorophenyl)-N-pyridin-4-ylcyclohexane-1-carboxamide
CID 60542537
N-(5-acetamido-2-methylphenyl)-1-(3-chlorophenyl)cyclopropane-1-carboxamide
CID 110439155
1-(3-chlorophenyl)-3-(4-methoxyphenyl)urea
CID 727874
N-(3-chlorophenyl)-1-(3,4-dimethoxyphenyl)cyclopentane-1-carboxamide
CID 2014049

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-(4-methoxyphenyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-N-(4-methoxyphenyl)cyclopropane-1-carboxamide (CID 110439114) is 1-(3-chlorophenyl)-N-(4-methoxyphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-N-(4-methoxyphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-N-(4-methoxyphenyl)cyclopropane-1-carboxamide is COc1ccc(NC(=O)C2(c3cccc(Cl)c3)CC2)cc1.
What is the InChIKey of 1-(3-chlorophenyl)-N-(4-methoxyphenyl)cyclopropane-1-carboxamide?
The InChIKey is HXLGXTNMQWLDGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO2/c1-21-15-7-5-14(6-8-15)19-16(20)17(9-10-17)12-3-2-4-13(18)11-12/h2-8,11H,9-10H2,1H3,(H,19,20).
What are the key properties of 1-(3-chlorophenyl)-N-(4-methoxyphenyl)cyclopropane-1-carboxamide?
1-(3-chlorophenyl)-N-(4-methoxyphenyl)cyclopropane-1-carboxamide has a molecular weight of 301.77 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-(4-methoxyphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 110439114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).