2-(2-chlorophenyl)-N-cyclopropyl-N-[(4-methylphenyl)methyl]cyclopropane-1-carboxamide

C21H22ClNO — CID 55588882

IUPAC2-(2-chlorophenyl)-N-cyclopropyl-N-[(4-methylphenyl)methyl]cyclopropane-1-carboxamide
SMILESCc1ccc(CN(C(=O)C2CC2c2ccccc2Cl)C2CC2)cc1
InChIInChI=1S/C21H22ClNO/c1-14-6-8-15(9-7-14)13-23(16-10-11-16)21(24)19-12-18(19)17-4-2-3-5-20(17)22/h2-9,16,18-19H,10-13H2,1H3
InChIKeyIADJMHIFEOXMSR-UHFFFAOYSA-N
MW339.87 g/mol
LogP4.94
Rot. Bonds5

About 2-(2-chlorophenyl)-N-cyclopropyl-N-[(4-methylphenyl)methyl]cyclopropane-1-carboxamide

2-(2-chlorophenyl)-N-cyclopropyl-N-[(4-methylphenyl)methyl]cyclopropane-1-carboxamide (PubChem CID 55588882) has the molecular formula C21H22ClNO and a molecular weight of 339.87 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-cyclopropyl-N-[(4-methylphenyl)methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-cyclopropyl-N-[(4-methylphenyl)methyl]cyclopropane-1-carboxamide
PubChem CID55588882
Molecular FormulaC21H22ClNO
Molecular Weight339.87 g/mol
Exact Mass339.14
IUPAC Name2-(2-chlorophenyl)-N-cyclopropyl-N-[(4-methylphenyl)methyl]cyclopropane-1-carboxamide
SMILESCc1ccc(CN(C(=O)C2CC2c2ccccc2Cl)C2CC2)cc1
InChIInChI=1S/C21H22ClNO/c1-14-6-8-15(9-7-14)13-23(16-10-11-16)21(24)19-12-18(19)17-4-2-3-5-20(17)22/h2-9,16,18-19H,10-13H2,1H3
InChIKeyIADJMHIFEOXMSR-UHFFFAOYSA-N
XLogP4.94
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.87
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[cyclopropyl-[(4-methylphenyl)methyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 60948626
2-(2-chlorophenyl)-N-methyl-N-(4-methylcyclohexyl)cyclopropane-1-carboxamide
CID 55474890
2-(2-chlorophenyl)-N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]cyclopropane-1-carboxamide
CID 55550870
2-(2-chlorophenyl)-N-[(4-cyanophenyl)methyl]-N-propylcyclopropane-1-carboxamide
CID 55593679
methyl 3-[benzyl-[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]propanoate
CID 55513092
2-(2-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylcyclopropane-1-carboxamide
CID 51292234
2-(2-chlorophenyl)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 55550792
cis-ethyl (1S,2R)-2-(2-chlorophenyl)cyclopropane-1-carboxylate
CID 86338840
N-cyclopropyl-N-[(4-methylphenyl)methyl]pyrrolidine-3-carboxamide
CID 55149693
(2R)-3-[[(1R,2S)-2-(2-chlorophenyl)cyclopropanecarbonyl]-methylamino]-2-methylpropanoic acid
CID 124693260
4-[[(1S,2S)-2-(2-chlorophenyl)cyclopropanecarbonyl]-methylamino]butanoic acid
CID 99845719
2-[[2-(2-chlorophenyl)cyclopropanecarbonyl]-[2-(dimethylamino)ethyl]amino]acetic acid
CID 119346810

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-cyclopropyl-N-[(4-methylphenyl)methyl]cyclopropane-1-carboxamide?
The IUPAC name of 2-(2-chlorophenyl)-N-cyclopropyl-N-[(4-methylphenyl)methyl]cyclopropane-1-carboxamide (CID 55588882) is 2-(2-chlorophenyl)-N-cyclopropyl-N-[(4-methylphenyl)methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-cyclopropyl-N-[(4-methylphenyl)methyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-cyclopropyl-N-[(4-methylphenyl)methyl]cyclopropane-1-carboxamide is Cc1ccc(CN(C(=O)C2CC2c2ccccc2Cl)C2CC2)cc1.
What is the InChIKey of 2-(2-chlorophenyl)-N-cyclopropyl-N-[(4-methylphenyl)methyl]cyclopropane-1-carboxamide?
The InChIKey is IADJMHIFEOXMSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClNO/c1-14-6-8-15(9-7-14)13-23(16-10-11-16)21(24)19-12-18(19)17-4-2-3-5-20(17)22/h2-9,16,18-19H,10-13H2,1H3.
What are the key properties of 2-(2-chlorophenyl)-N-cyclopropyl-N-[(4-methylphenyl)methyl]cyclopropane-1-carboxamide?
2-(2-chlorophenyl)-N-cyclopropyl-N-[(4-methylphenyl)methyl]cyclopropane-1-carboxamide has a molecular weight of 339.87 g/mol, XLogP of 4.94, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-cyclopropyl-N-[(4-methylphenyl)methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 55588882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).