2-N-(3-chloro-4-methylphenyl)-1-N-(2,3-dimethylphenyl)cyclopropane-1,2-dicarboxamide

C20H21ClN2O2 — CID 109141923

IUPAC2-N-(3-chloro-4-methylphenyl)-1-N-(2,3-dimethylphenyl)cyclopropane-1,2-dicarboxamide
SMILESCc1ccc(NC(=O)C2CC2C(=O)Nc2cccc(C)c2C)cc1Cl
InChIInChI=1S/C20H21ClN2O2/c1-11-5-4-6-18(13(11)3)23-20(25)16-10-15(16)19(24)22-14-8-7-12(2)17(21)9-14/h4-9,15-16H,10H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyQMTPFBRDOPCNNK-UHFFFAOYSA-N
MW356.85 g/mol
LogP4.48
Rot. Bonds4

About 2-N-(3-chloro-4-methylphenyl)-1-N-(2,3-dimethylphenyl)cyclopropane-1,2-dicarboxamide

2-N-(3-chloro-4-methylphenyl)-1-N-(2,3-dimethylphenyl)cyclopropane-1,2-dicarboxamide (PubChem CID 109141923) has the molecular formula C20H21ClN2O2 and a molecular weight of 356.85 g/mol. Its IUPAC name is 2-N-(3-chloro-4-methylphenyl)-1-N-(2,3-dimethylphenyl)cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-(3-chloro-4-methylphenyl)-1-N-(2,3-dimethylphenyl)cyclopropane-1,2-dicarboxamide
PubChem CID109141923
Molecular FormulaC20H21ClN2O2
Molecular Weight356.85 g/mol
Exact Mass356.13
IUPAC Name2-N-(3-chloro-4-methylphenyl)-1-N-(2,3-dimethylphenyl)cyclopropane-1,2-dicarboxamide
SMILESCc1ccc(NC(=O)C2CC2C(=O)Nc2cccc(C)c2C)cc1Cl
InChIInChI=1S/C20H21ClN2O2/c1-11-5-4-6-18(13(11)3)23-20(25)16-10-15(16)19(24)22-14-8-7-12(2)17(21)9-14/h4-9,15-16H,10H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyQMTPFBRDOPCNNK-UHFFFAOYSA-N
XLogP4.48
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.85
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-(3-chlorophenyl)-1-N-(2,3-dimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141918
2-N-(4-acetamidophenyl)-1-N-(2,3-dimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141946
1-N-(2,3-dimethylphenyl)-2-N-phenylcyclopropane-1,2-dicarboxamide
CID 109140804
1-N-(4-chloro-2-methoxy-5-methylphenyl)-2-N-(2,3-dimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141972
2-N-(3-chloro-2-methylphenyl)-1-N-(3,5-dichlorophenyl)cyclopropane-1,2-dicarboxamide
CID 109143030
2-N-(3,4-dichlorophenyl)-1-N-(2,5-dimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141641
2-N-(3-chloro-2-methylphenyl)-1-N-(2,5-dimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141595
1-N-(3-chloro-2-methylphenyl)-2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropane-1,2-dicarboxamide
CID 109143023
1-N-(3-chloro-4-methylphenyl)-2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropane-1,2-dicarboxamide
CID 109143173
1-N-(2-chlorophenyl)-2-N-(3,4-dichlorophenyl)cyclopropane-1,2-dicarboxamide
CID 109142847
2-N-(4-chlorophenyl)-1-N-(2-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109140926
2-N-butyl-1-N-(2,3-dimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109131309

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-chloro-4-methylphenyl)-1-N-(2,3-dimethylphenyl)cyclopropane-1,2-dicarboxamide?
The IUPAC name of 2-N-(3-chloro-4-methylphenyl)-1-N-(2,3-dimethylphenyl)cyclopropane-1,2-dicarboxamide (CID 109141923) is 2-N-(3-chloro-4-methylphenyl)-1-N-(2,3-dimethylphenyl)cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 2-N-(3-chloro-4-methylphenyl)-1-N-(2,3-dimethylphenyl)cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 2-N-(3-chloro-4-methylphenyl)-1-N-(2,3-dimethylphenyl)cyclopropane-1,2-dicarboxamide is Cc1ccc(NC(=O)C2CC2C(=O)Nc2cccc(C)c2C)cc1Cl.
What is the InChIKey of 2-N-(3-chloro-4-methylphenyl)-1-N-(2,3-dimethylphenyl)cyclopropane-1,2-dicarboxamide?
The InChIKey is QMTPFBRDOPCNNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O2/c1-11-5-4-6-18(13(11)3)23-20(25)16-10-15(16)19(24)22-14-8-7-12(2)17(21)9-14/h4-9,15-16H,10H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of 2-N-(3-chloro-4-methylphenyl)-1-N-(2,3-dimethylphenyl)cyclopropane-1,2-dicarboxamide?
2-N-(3-chloro-4-methylphenyl)-1-N-(2,3-dimethylphenyl)cyclopropane-1,2-dicarboxamide has a molecular weight of 356.85 g/mol, XLogP of 4.48, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-chloro-4-methylphenyl)-1-N-(2,3-dimethylphenyl)cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109141923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).