2-N-(2-chloro-4,6-dimethylphenyl)-1-N-ethyl-1-N-phenylcyclopropane-1,2-dicarboxamide

C21H23ClN2O2 — CID 109142159

IUPAC2-N-(2-chloro-4,6-dimethylphenyl)-1-N-ethyl-1-N-phenylcyclopropane-1,2-dicarboxamide
SMILESCCN(C(=O)C1CC1C(=O)Nc1c(C)cc(C)cc1Cl)c1ccccc1
InChIInChI=1S/C21H23ClN2O2/c1-4-24(15-8-6-5-7-9-15)21(26)17-12-16(17)20(25)23-19-14(3)10-13(2)11-18(19)22/h5-11,16-17H,4,12H2,1-3H3,(H,23,25)
InChIKeyISEBMAWEOYIAQM-UHFFFAOYSA-N
MW370.88 g/mol
LogP4.58
Rot. Bonds5

About 2-N-(2-chloro-4,6-dimethylphenyl)-1-N-ethyl-1-N-phenylcyclopropane-1,2-dicarboxamide

2-N-(2-chloro-4,6-dimethylphenyl)-1-N-ethyl-1-N-phenylcyclopropane-1,2-dicarboxamide (PubChem CID 109142159) has the molecular formula C21H23ClN2O2 and a molecular weight of 370.88 g/mol. Its IUPAC name is 2-N-(2-chloro-4,6-dimethylphenyl)-1-N-ethyl-1-N-phenylcyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-(2-chloro-4,6-dimethylphenyl)-1-N-ethyl-1-N-phenylcyclopropane-1,2-dicarboxamide
PubChem CID109142159
Molecular FormulaC21H23ClN2O2
Molecular Weight370.88 g/mol
Exact Mass370.14
IUPAC Name2-N-(2-chloro-4,6-dimethylphenyl)-1-N-ethyl-1-N-phenylcyclopropane-1,2-dicarboxamide
SMILESCCN(C(=O)C1CC1C(=O)Nc1c(C)cc(C)cc1Cl)c1ccccc1
InChIInChI=1S/C21H23ClN2O2/c1-4-24(15-8-6-5-7-9-15)21(26)17-12-16(17)20(25)23-19-14(3)10-13(2)11-18(19)22/h5-11,16-17H,4,12H2,1-3H3,(H,23,25)
InChIKeyISEBMAWEOYIAQM-UHFFFAOYSA-N
XLogP4.58
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.88
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-chloro-4,6-dimethylphenyl)-N'-ethyl-N'-phenylpropanediamide
CID 108954109
1-N-ethyl-2-N-(2-ethyl-6-methylphenyl)-1-N-phenylcyclopropane-1,2-dicarboxamide
CID 109142141
2-N-(2-chlorophenyl)-1-N-ethyl-1-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109142859
2-N-(3-bromophenyl)-1-N-ethyl-1-N-phenylcyclopropane-1,2-dicarboxamide
CID 109142192
1-N-ethyl-2-N-(2-ethylphenyl)-1-N-phenylcyclopropane-1,2-dicarboxamide
CID 109141985
2-N-(4-acetamidophenyl)-1-N-(2-chloro-4,6-dimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109143237
1-N-(2-chloro-4,6-dimethylphenyl)-2-N-(3-chlorophenyl)cyclopropane-1,2-dicarboxamide
CID 109142871
1-N-benzyl-2-N-(2,6-dimethylphenyl)-1-N-phenylcyclopropane-1,2-dicarboxamide
CID 109141876
2-N-(3,4-dimethylphenyl)-1-N-ethyl-1-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141736
2-N-butan-2-yl-1-N-ethyl-1-N-phenylcyclopropane-1,2-dicarboxamide
CID 109131699
N-(2-chloro-4,6-dimethylphenyl)-N'-ethyl-N'-(3-methylphenyl)oxamide
CID 108532234
1-N-(2-chloro-4,6-dimethylphenyl)-2-N-(pyridin-4-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109137253

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-chloro-4,6-dimethylphenyl)-1-N-ethyl-1-N-phenylcyclopropane-1,2-dicarboxamide?
The IUPAC name of 2-N-(2-chloro-4,6-dimethylphenyl)-1-N-ethyl-1-N-phenylcyclopropane-1,2-dicarboxamide (CID 109142159) is 2-N-(2-chloro-4,6-dimethylphenyl)-1-N-ethyl-1-N-phenylcyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 2-N-(2-chloro-4,6-dimethylphenyl)-1-N-ethyl-1-N-phenylcyclopropane-1,2-dicarboxamide?
The canonical SMILES for 2-N-(2-chloro-4,6-dimethylphenyl)-1-N-ethyl-1-N-phenylcyclopropane-1,2-dicarboxamide is CCN(C(=O)C1CC1C(=O)Nc1c(C)cc(C)cc1Cl)c1ccccc1.
What is the InChIKey of 2-N-(2-chloro-4,6-dimethylphenyl)-1-N-ethyl-1-N-phenylcyclopropane-1,2-dicarboxamide?
The InChIKey is ISEBMAWEOYIAQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O2/c1-4-24(15-8-6-5-7-9-15)21(26)17-12-16(17)20(25)23-19-14(3)10-13(2)11-18(19)22/h5-11,16-17H,4,12H2,1-3H3,(H,23,25).
What are the key properties of 2-N-(2-chloro-4,6-dimethylphenyl)-1-N-ethyl-1-N-phenylcyclopropane-1,2-dicarboxamide?
2-N-(2-chloro-4,6-dimethylphenyl)-1-N-ethyl-1-N-phenylcyclopropane-1,2-dicarboxamide has a molecular weight of 370.88 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-chloro-4,6-dimethylphenyl)-1-N-ethyl-1-N-phenylcyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109142159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).