2-N-(4-acetamidophenyl)-1-N-(2-chloro-4,6-dimethylphenyl)cyclopropane-1,2-dicarboxamide

C21H22ClN3O3 — CID 109143237

IUPAC2-N-(4-acetamidophenyl)-1-N-(2-chloro-4,6-dimethylphenyl)cyclopropane-1,2-dicarboxamide
SMILESCC(=O)Nc1ccc(NC(=O)C2CC2C(=O)Nc2c(C)cc(C)cc2Cl)cc1
InChIInChI=1S/C21H22ClN3O3/c1-11-8-12(2)19(18(22)9-11)25-21(28)17-10-16(17)20(27)24-15-6-4-14(5-7-15)23-13(3)26/h4-9,16-17H,10H2,1-3H3,(H,23,26)(H,24,27)(H,25,28)
InChIKeyPNUUAAGXBCQFAS-UHFFFAOYSA-N
MW399.88 g/mol
LogP4.13
Rot. Bonds5

About 2-N-(4-acetamidophenyl)-1-N-(2-chloro-4,6-dimethylphenyl)cyclopropane-1,2-dicarboxamide

2-N-(4-acetamidophenyl)-1-N-(2-chloro-4,6-dimethylphenyl)cyclopropane-1,2-dicarboxamide (PubChem CID 109143237) has the molecular formula C21H22ClN3O3 and a molecular weight of 399.88 g/mol. Its IUPAC name is 2-N-(4-acetamidophenyl)-1-N-(2-chloro-4,6-dimethylphenyl)cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-(4-acetamidophenyl)-1-N-(2-chloro-4,6-dimethylphenyl)cyclopropane-1,2-dicarboxamide
PubChem CID109143237
Molecular FormulaC21H22ClN3O3
Molecular Weight399.88 g/mol
Exact Mass399.13
IUPAC Name2-N-(4-acetamidophenyl)-1-N-(2-chloro-4,6-dimethylphenyl)cyclopropane-1,2-dicarboxamide
SMILESCC(=O)Nc1ccc(NC(=O)C2CC2C(=O)Nc2c(C)cc(C)cc2Cl)cc1
InChIInChI=1S/C21H22ClN3O3/c1-11-8-12(2)19(18(22)9-11)25-21(28)17-10-16(17)20(27)24-15-6-4-14(5-7-15)23-13(3)26/h4-9,16-17H,10H2,1-3H3,(H,23,26)(H,24,27)(H,25,28)
InChIKeyPNUUAAGXBCQFAS-UHFFFAOYSA-N
XLogP4.13
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.88
LogP ≤ 54.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-(2-chloro-4,6-dimethylphenyl)-2-N-(3-chlorophenyl)cyclopropane-1,2-dicarboxamide
CID 109142871
2-N-(1,3-benzodioxol-5-yl)-1-N-(2-chloro-4,6-dimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109143240
2-N-(3-acetamidophenyl)-1-N-(2,4,6-trimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109142442
N-(2-chloro-4,6-dimethylphenyl)-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109131910
1-N-(2-chloro-4,6-dimethylphenyl)-2-N-cyclohexylcyclopropane-1,2-dicarboxamide
CID 109132479
N-(2-chloro-4,6-dimethylphenyl)-2-(piperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109132291
1-N-(2-chloro-4,6-dimethylphenyl)-2-N-(pyridin-4-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109137253
2-N-(4-ethoxyphenyl)-1-N-(2,4,6-trimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109142430
2-N-(2-chloro-4,6-dimethylphenyl)-1-N-ethyl-1-N-phenylcyclopropane-1,2-dicarboxamide
CID 109142159
2-(4-acetamido-N-acetylanilino)-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 113175984
1-N-(4-acetamidophenyl)-2-N-(4-acetylphenyl)cyclopropane-1,2-dicarboxamide
CID 109143793
2-N-(3,4-dichlorophenyl)-1-N-(2,5-dimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141641

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-acetamidophenyl)-1-N-(2-chloro-4,6-dimethylphenyl)cyclopropane-1,2-dicarboxamide?
The IUPAC name of 2-N-(4-acetamidophenyl)-1-N-(2-chloro-4,6-dimethylphenyl)cyclopropane-1,2-dicarboxamide (CID 109143237) is 2-N-(4-acetamidophenyl)-1-N-(2-chloro-4,6-dimethylphenyl)cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 2-N-(4-acetamidophenyl)-1-N-(2-chloro-4,6-dimethylphenyl)cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 2-N-(4-acetamidophenyl)-1-N-(2-chloro-4,6-dimethylphenyl)cyclopropane-1,2-dicarboxamide is CC(=O)Nc1ccc(NC(=O)C2CC2C(=O)Nc2c(C)cc(C)cc2Cl)cc1.
What is the InChIKey of 2-N-(4-acetamidophenyl)-1-N-(2-chloro-4,6-dimethylphenyl)cyclopropane-1,2-dicarboxamide?
The InChIKey is PNUUAAGXBCQFAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O3/c1-11-8-12(2)19(18(22)9-11)25-21(28)17-10-16(17)20(27)24-15-6-4-14(5-7-15)23-13(3)26/h4-9,16-17H,10H2,1-3H3,(H,23,26)(H,24,27)(H,25,28).
What are the key properties of 2-N-(4-acetamidophenyl)-1-N-(2-chloro-4,6-dimethylphenyl)cyclopropane-1,2-dicarboxamide?
2-N-(4-acetamidophenyl)-1-N-(2-chloro-4,6-dimethylphenyl)cyclopropane-1,2-dicarboxamide has a molecular weight of 399.88 g/mol, XLogP of 4.13, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-acetamidophenyl)-1-N-(2-chloro-4,6-dimethylphenyl)cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109143237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).