1-N-(4-chloro-2,6-dimethylphenyl)-2-N-[(4-chlorophenyl)methyl]-2-N-methylpyrrolidine-1,2-dicarboxamide

C22H25Cl2N3O2 — CID 71131532

IUPAC1-N-(4-chloro-2,6-dimethylphenyl)-2-N-[(4-chlorophenyl)methyl]-2-N-methylpyrrolidine-1,2-dicarboxamide
SMILESCc1cc(Cl)cc(C)c1NC(=O)N1CCCC1C(=O)N(C)Cc1ccc(Cl)cc1
InChIInChI=1S/C22H25Cl2N3O2/c1-14-11-18(24)12-15(2)20(14)25-22(29)27-10-4-5-19(27)21(28)26(3)13-16-6-8-17(23)9-7-16/h6-9,11-12,19H,4-5,10,13H2,1-3H3,(H,25,29)
InChIKeyFKQFPXJUMGLVRA-UHFFFAOYSA-N
MW434.37 g/mol
LogP5.27
Rot. Bonds4

About 1-N-(4-chloro-2,6-dimethylphenyl)-2-N-[(4-chlorophenyl)methyl]-2-N-methylpyrrolidine-1,2-dicarboxamide

1-N-(4-chloro-2,6-dimethylphenyl)-2-N-[(4-chlorophenyl)methyl]-2-N-methylpyrrolidine-1,2-dicarboxamide (PubChem CID 71131532) has the molecular formula C22H25Cl2N3O2 and a molecular weight of 434.37 g/mol. Its IUPAC name is 1-N-(4-chloro-2,6-dimethylphenyl)-2-N-[(4-chlorophenyl)methyl]-2-N-methylpyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-(4-chloro-2,6-dimethylphenyl)-2-N-[(4-chlorophenyl)methyl]-2-N-methylpyrrolidine-1,2-dicarboxamide
PubChem CID71131532
Molecular FormulaC22H25Cl2N3O2
Molecular Weight434.37 g/mol
Exact Mass433.13
IUPAC Name1-N-(4-chloro-2,6-dimethylphenyl)-2-N-[(4-chlorophenyl)methyl]-2-N-methylpyrrolidine-1,2-dicarboxamide
SMILESCc1cc(Cl)cc(C)c1NC(=O)N1CCCC1C(=O)N(C)Cc1ccc(Cl)cc1
InChIInChI=1S/C22H25Cl2N3O2/c1-14-11-18(24)12-15(2)20(14)25-22(29)27-10-4-5-19(27)21(28)26(3)13-16-6-8-17(23)9-7-16/h6-9,11-12,19H,4-5,10,13H2,1-3H3,(H,25,29)
InChIKeyFKQFPXJUMGLVRA-UHFFFAOYSA-N
XLogP5.27
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.37
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-N-(4-chloro-2,6-dimethylphenyl)-2-N-[(4-chlorophenyl)methyl]-2-N-methylpyrrolidine-1,2-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-1-N-[2-chloro-6-iodo-4-(trifluoromethyl)phenyl]-2-N-[(4-chlorophenyl)methyl]-2-N-methylpyrrolidine-1,2-dicarboxamide
CID 71134588
(2R)-1-N-(6-chloro-2-methyl-3-pyridinyl)-2-N-[(4-chlorophenyl)methyl]-2-N-methylpyrrolidine-1,2-dicarboxamide
CID 89303525
(2R)-2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-[(3-methylphenyl)methyl]pyrrolidine-1,2-dicarboxamide
CID 143615289
(2R)-2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-[(1R)-1-(5-methylfuran-2-yl)propyl]pyrrolidine-1,2-dicarboxamide;methanol
CID 143615109
(2R)-2-N-[(4-chlorophenyl)methyl]-1-N-[[2-ethyl-5-(trifluoromethyl)phenyl]methyl]-2-N-methylpyrrolidine-1,2-dicarboxamide
CID 143615079
(2R)-2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-[4-(trifluoromethyl)phenyl]azetidine-1,2-dicarboxamide
CID 25233758
(2R)-2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-[(1R)-1-naphthalen-1-ylethyl]pyrrolidine-1,2-dicarboxamide
CID 143615138
2-N-[(4-chlorophenyl)methyl]-1-N-(8-fluoro-3,4-dihydro-1H-isochromen-4-yl)-2-N-methylpyrrolidine-1,2-dicarboxamide
CID 143615170
(2R)-1-[(4-chlorophenyl)methyl-methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 78922929
1-N-[(1-acetyl-3,4-dihydro-2H-quinolin-2-yl)methyl]-2-N-[(4-chlorophenyl)methyl]-2-N-methylpyrrolidine-1,2-dicarboxamide
CID 143615196
(2R)-2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-[(1S)-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]pyrrolidine-1,2-dicarboxamide
CID 71131547
[(3Z,6E)-6-chloroocta-3,6-dien-2-yl] 2-[(4-chlorophenyl)methyl-methylcarbamoyl]pyrrolidine-1-carboxylate
CID 143615187

Frequently Asked Questions

What is the IUPAC name of 1-N-(4-chloro-2,6-dimethylphenyl)-2-N-[(4-chlorophenyl)methyl]-2-N-methylpyrrolidine-1,2-dicarboxamide?
The IUPAC name of 1-N-(4-chloro-2,6-dimethylphenyl)-2-N-[(4-chlorophenyl)methyl]-2-N-methylpyrrolidine-1,2-dicarboxamide (CID 71131532) is 1-N-(4-chloro-2,6-dimethylphenyl)-2-N-[(4-chlorophenyl)methyl]-2-N-methylpyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for 1-N-(4-chloro-2,6-dimethylphenyl)-2-N-[(4-chlorophenyl)methyl]-2-N-methylpyrrolidine-1,2-dicarboxamide?
The canonical SMILES for 1-N-(4-chloro-2,6-dimethylphenyl)-2-N-[(4-chlorophenyl)methyl]-2-N-methylpyrrolidine-1,2-dicarboxamide is Cc1cc(Cl)cc(C)c1NC(=O)N1CCCC1C(=O)N(C)Cc1ccc(Cl)cc1.
What is the InChIKey of 1-N-(4-chloro-2,6-dimethylphenyl)-2-N-[(4-chlorophenyl)methyl]-2-N-methylpyrrolidine-1,2-dicarboxamide?
The InChIKey is FKQFPXJUMGLVRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25Cl2N3O2/c1-14-11-18(24)12-15(2)20(14)25-22(29)27-10-4-5-19(27)21(28)26(3)13-16-6-8-17(23)9-7-16/h6-9,11-12,19H,4-5,10,13H2,1-3H3,(H,25,29).
What are the key properties of 1-N-(4-chloro-2,6-dimethylphenyl)-2-N-[(4-chlorophenyl)methyl]-2-N-methylpyrrolidine-1,2-dicarboxamide?
1-N-(4-chloro-2,6-dimethylphenyl)-2-N-[(4-chlorophenyl)methyl]-2-N-methylpyrrolidine-1,2-dicarboxamide has a molecular weight of 434.37 g/mol, XLogP of 5.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-chloro-2,6-dimethylphenyl)-2-N-[(4-chlorophenyl)methyl]-2-N-methylpyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 71131532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).