1-N-(5-chloro-2-methylphenyl)-2-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1,2-dicarboxamide

C21H23ClN2O3 — CID 109137936

IUPAC1-N-(5-chloro-2-methylphenyl)-2-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1,2-dicarboxamide
SMILESCOc1cccc(CCNC(=O)C2CC2C(=O)Nc2cc(Cl)ccc2C)c1
InChIInChI=1S/C21H23ClN2O3/c1-13-6-7-15(22)11-19(13)24-21(26)18-12-17(18)20(25)23-9-8-14-4-3-5-16(10-14)27-2/h3-7,10-11,17-18H,8-9,12H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyUXZPQGAWUFLGES-UHFFFAOYSA-N
MW386.88 g/mol
LogP3.59
Rot. Bonds7

About 1-N-(5-chloro-2-methylphenyl)-2-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1,2-dicarboxamide

1-N-(5-chloro-2-methylphenyl)-2-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1,2-dicarboxamide (PubChem CID 109137936) has the molecular formula C21H23ClN2O3 and a molecular weight of 386.88 g/mol. Its IUPAC name is 1-N-(5-chloro-2-methylphenyl)-2-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-(5-chloro-2-methylphenyl)-2-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1,2-dicarboxamide
PubChem CID109137936
Molecular FormulaC21H23ClN2O3
Molecular Weight386.88 g/mol
Exact Mass386.14
IUPAC Name1-N-(5-chloro-2-methylphenyl)-2-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1,2-dicarboxamide
SMILESCOc1cccc(CCNC(=O)C2CC2C(=O)Nc2cc(Cl)ccc2C)c1
InChIInChI=1S/C21H23ClN2O3/c1-13-6-7-15(22)11-19(13)24-21(26)18-12-17(18)20(25)23-9-8-14-4-3-5-16(10-14)27-2/h3-7,10-11,17-18H,8-9,12H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyUXZPQGAWUFLGES-UHFFFAOYSA-N
XLogP3.59
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.88
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-N-(5-chloro-2-methylphenyl)-2-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1,2-dicarboxamide with MolForge

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Related Compounds

2-N-[2-(3-methoxyphenyl)ethyl]-1-N-(4-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109137909
2-N-[2-(3-methoxyphenyl)ethyl]-1-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109137908
N-(5-chloro-2-methylphenyl)-N'-[2-(3-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide
CID 108964386
2-N-butyl-1-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109131252
2-N-[2-(3-methoxyphenyl)ethyl]-1-N-propan-2-ylcyclopropane-1,2-dicarboxamide
CID 109130661
1-N-(5-chloro-2-methylphenyl)-2-N-(2,5-dimethoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109143056
1-N-(4-tert-butylphenyl)-2-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109137929
N-(5-chloro-2-methylphenyl)-2-(3-methoxyphenyl)acetamide
CID 3576472
1-N-(3-cyanophenyl)-2-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109137966
1-(5-chloro-2-hydroxyphenyl)-3-[2-(3-methoxyphenyl)ethyl]urea
CID 108900950
1-N-(3-methoxyphenyl)-2-N-[2-(4-methoxyphenyl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109138025
N-(5-chloro-2-methylphenyl)-4-[2-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 113109387

Frequently Asked Questions

What is the IUPAC name of 1-N-(5-chloro-2-methylphenyl)-2-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1,2-dicarboxamide?
The IUPAC name of 1-N-(5-chloro-2-methylphenyl)-2-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1,2-dicarboxamide (CID 109137936) is 1-N-(5-chloro-2-methylphenyl)-2-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 1-N-(5-chloro-2-methylphenyl)-2-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 1-N-(5-chloro-2-methylphenyl)-2-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1,2-dicarboxamide is COc1cccc(CCNC(=O)C2CC2C(=O)Nc2cc(Cl)ccc2C)c1.
What is the InChIKey of 1-N-(5-chloro-2-methylphenyl)-2-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1,2-dicarboxamide?
The InChIKey is UXZPQGAWUFLGES-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O3/c1-13-6-7-15(22)11-19(13)24-21(26)18-12-17(18)20(25)23-9-8-14-4-3-5-16(10-14)27-2/h3-7,10-11,17-18H,8-9,12H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of 1-N-(5-chloro-2-methylphenyl)-2-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1,2-dicarboxamide?
1-N-(5-chloro-2-methylphenyl)-2-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1,2-dicarboxamide has a molecular weight of 386.88 g/mol, XLogP of 3.59, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(5-chloro-2-methylphenyl)-2-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109137936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).