1-N-(3-chloro-2-methylphenyl)-2-N-[(3-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide

C20H21ClN2O2 — CID 109135371

IUPAC1-N-(3-chloro-2-methylphenyl)-2-N-[(3-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide
SMILESCc1cccc(CNC(=O)C2CC2C(=O)Nc2cccc(Cl)c2C)c1
InChIInChI=1S/C20H21ClN2O2/c1-12-5-3-6-14(9-12)11-22-19(24)15-10-16(15)20(25)23-18-8-4-7-17(21)13(18)2/h3-9,15-16H,10-11H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyCFXADVNZIIXYMP-UHFFFAOYSA-N
MW356.85 g/mol
LogP3.85
Rot. Bonds5

About 1-N-(3-chloro-2-methylphenyl)-2-N-[(3-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide

1-N-(3-chloro-2-methylphenyl)-2-N-[(3-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide (PubChem CID 109135371) has the molecular formula C20H21ClN2O2 and a molecular weight of 356.85 g/mol. Its IUPAC name is 1-N-(3-chloro-2-methylphenyl)-2-N-[(3-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-(3-chloro-2-methylphenyl)-2-N-[(3-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide
PubChem CID109135371
Molecular FormulaC20H21ClN2O2
Molecular Weight356.85 g/mol
Exact Mass356.13
IUPAC Name1-N-(3-chloro-2-methylphenyl)-2-N-[(3-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide
SMILESCc1cccc(CNC(=O)C2CC2C(=O)Nc2cccc(Cl)c2C)c1
InChIInChI=1S/C20H21ClN2O2/c1-12-5-3-6-14(9-12)11-22-19(24)15-10-16(15)20(25)23-18-8-4-7-17(21)13(18)2/h3-9,15-16H,10-11H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyCFXADVNZIIXYMP-UHFFFAOYSA-N
XLogP3.85
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.85
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-(3-chloro-2-methylphenyl)-2-N-(pyridin-3-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109137094
1-N-(2,4-dimethylphenyl)-2-N-[(3-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109135349
2-N-(3-chloro-2-methylphenyl)-1-N-(2,5-dimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141595
1-N-(2-chlorophenyl)-2-N-[(4-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109135516
2-N-butyl-1-N-(3-chloro-2-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109131326
1-N-(2,4-dimethoxyphenyl)-2-N-[(3-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109135389
2-N-[(3-methylphenyl)methyl]-1-N-(2-morpholin-4-ylphenyl)cyclopropane-1,2-dicarboxamide
CID 109135405
2-N-[2-(3-chlorophenyl)ethyl]-1-N-[(3-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109135340
2-N-(3-chloro-2-methylphenyl)-1-N-(2,5-dichlorophenyl)cyclopropane-1,2-dicarboxamide
CID 109143029
2-N-(3-chloro-2-methylphenyl)-1-N-(3,5-dichlorophenyl)cyclopropane-1,2-dicarboxamide
CID 109143030
1-N-(2-ethyl-6-methylphenyl)-2-N-[(3-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109135358
1-N-(2,3-dimethylphenyl)-2-N-(pyridin-4-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109137231

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-chloro-2-methylphenyl)-2-N-[(3-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide?
The IUPAC name of 1-N-(3-chloro-2-methylphenyl)-2-N-[(3-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide (CID 109135371) is 1-N-(3-chloro-2-methylphenyl)-2-N-[(3-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 1-N-(3-chloro-2-methylphenyl)-2-N-[(3-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 1-N-(3-chloro-2-methylphenyl)-2-N-[(3-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide is Cc1cccc(CNC(=O)C2CC2C(=O)Nc2cccc(Cl)c2C)c1.
What is the InChIKey of 1-N-(3-chloro-2-methylphenyl)-2-N-[(3-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide?
The InChIKey is CFXADVNZIIXYMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O2/c1-12-5-3-6-14(9-12)11-22-19(24)15-10-16(15)20(25)23-18-8-4-7-17(21)13(18)2/h3-9,15-16H,10-11H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of 1-N-(3-chloro-2-methylphenyl)-2-N-[(3-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide?
1-N-(3-chloro-2-methylphenyl)-2-N-[(3-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide has a molecular weight of 356.85 g/mol, XLogP of 3.85, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-chloro-2-methylphenyl)-2-N-[(3-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109135371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).