2-(2-chlorophenyl)-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]cyclopropane-1-carboxamide

C24H22ClN3O2 — CID 55763153

IUPAC2-(2-chlorophenyl)-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]cyclopropane-1-carboxamide
SMILESCc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)C1CC1c1ccccc1Cl
InChIInChI=1S/C24H22ClN3O2/c1-15-11-12-17(27-24(30)26-16-7-3-2-4-8-16)13-22(15)28-23(29)20-14-19(20)18-9-5-6-10-21(18)25/h2-13,19-20H,14H2,1H3,(H,28,29)(H2,26,27,30)
InChIKeyPIHZOIKOEDPNNL-UHFFFAOYSA-N
MW419.91 g/mol
LogP6.03
Rot. Bonds5

About 2-(2-chlorophenyl)-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]cyclopropane-1-carboxamide

2-(2-chlorophenyl)-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]cyclopropane-1-carboxamide (PubChem CID 55763153) has the molecular formula C24H22ClN3O2 and a molecular weight of 419.91 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]cyclopropane-1-carboxamide
PubChem CID55763153
Molecular FormulaC24H22ClN3O2
Molecular Weight419.91 g/mol
Exact Mass419.14
IUPAC Name2-(2-chlorophenyl)-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]cyclopropane-1-carboxamide
SMILESCc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)C1CC1c1ccccc1Cl
InChIInChI=1S/C24H22ClN3O2/c1-15-11-12-17(27-24(30)26-16-7-3-2-4-8-16)13-22(15)28-23(29)20-14-19(20)18-9-5-6-10-21(18)25/h2-13,19-20H,14H2,1H3,(H,28,29)(H2,26,27,30)
InChIKeyPIHZOIKOEDPNNL-UHFFFAOYSA-N
XLogP6.03
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.91
LogP ≤ 56.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chlorophenyl)-N-(3-methoxy-2,4-dimethylphenyl)cyclopropane-1-carboxamide
CID 112819613
2-(2-chlorophenyl)-N-(2-fluoro-5-methylphenyl)cyclopropane-1-carboxamide
CID 55477032
cis-(1R,2S)-N-(4-acetamido-3-methoxyphenyl)-2-(2-chlorophenyl)cyclopropane-1-carboxamide
CID 52528491
3-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]benzamide
CID 51295099
N-(5-amino-2-methylphenyl)-2-(2-methylphenyl)cyclopropane-1-carboxamide
CID 120569043
trans-(1R,2R)-N-(5-chloro-2-methylphenyl)-2-phenylcyclopropane-1-carboxamide
CID 887653
2-chloro-4-[[(1R,2R)-2-(2-chlorophenyl)cyclopropanecarbonyl]amino]benzamide
CID 95311713
N-(2-chloro-4-fluorophenyl)-2-(2-chlorophenyl)cyclopropane-1-carboxamide
CID 55476894
2-(2-chlorophenyl)-N-(4-propan-2-yloxyphenyl)cyclopropane-1-carboxamide
CID 55748842
3-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]-N-cyclopropylbenzamide
CID 51295410
4-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]-N,N-diethylbenzamide
CID 51295036
2-(2-chlorophenyl)-N-(2-propan-2-yloxyphenyl)cyclopropane-1-carboxamide
CID 55689122

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]cyclopropane-1-carboxamide?
The IUPAC name of 2-(2-chlorophenyl)-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]cyclopropane-1-carboxamide (CID 55763153) is 2-(2-chlorophenyl)-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]cyclopropane-1-carboxamide is Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)C1CC1c1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]cyclopropane-1-carboxamide?
The InChIKey is PIHZOIKOEDPNNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN3O2/c1-15-11-12-17(27-24(30)26-16-7-3-2-4-8-16)13-22(15)28-23(29)20-14-19(20)18-9-5-6-10-21(18)25/h2-13,19-20H,14H2,1H3,(H,28,29)(H2,26,27,30).
What are the key properties of 2-(2-chlorophenyl)-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]cyclopropane-1-carboxamide?
2-(2-chlorophenyl)-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]cyclopropane-1-carboxamide has a molecular weight of 419.91 g/mol, XLogP of 6.03, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 55763153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).