(3R)-1-(2,3-dichlorophenyl)-N-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide

C19H18Cl2N2O2 — CID 124529134

IUPAC(3R)-1-(2,3-dichlorophenyl)-N-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1cc(C)cc(NC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2)c1
InChIInChI=1S/C19H18Cl2N2O2/c1-11-6-12(2)8-14(7-11)22-19(25)13-9-17(24)23(10-13)16-5-3-4-15(20)18(16)21/h3-8,13H,9-10H2,1-2H3,(H,22,25)/t13-/m1/s1
InChIKeyGVKXQJCNNQSABE-CYBMUJFWSA-N
MW377.27 g/mol
LogP4.60
Rot. Bonds3

About (3R)-1-(2,3-dichlorophenyl)-N-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide

(3R)-1-(2,3-dichlorophenyl)-N-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 124529134) has the molecular formula C19H18Cl2N2O2 and a molecular weight of 377.27 g/mol. Its IUPAC name is (3R)-1-(2,3-dichlorophenyl)-N-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(2,3-dichlorophenyl)-N-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID124529134
Molecular FormulaC19H18Cl2N2O2
Molecular Weight377.27 g/mol
Exact Mass376.07
IUPAC Name(3R)-1-(2,3-dichlorophenyl)-N-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1cc(C)cc(NC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2)c1
InChIInChI=1S/C19H18Cl2N2O2/c1-11-6-12(2)8-14(7-11)22-19(25)13-9-17(24)23(10-13)16-5-3-4-15(20)18(16)21/h3-8,13H,9-10H2,1-2H3,(H,22,25)/t13-/m1/s1
InChIKeyGVKXQJCNNQSABE-CYBMUJFWSA-N
XLogP4.60
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.27
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1-(2-chlorophenyl)-N-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 26721715
1-(2,3-dichlorophenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 113191372
(3R)-1-(2,5-dichlorophenyl)-N-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9004637
1-(2,3-dichlorophenyl)-N-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113191381
(3S)-N-(2-chlorophenyl)-1-(2,3-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 9056525
1-(2,3-dichlorophenyl)-5-oxo-N-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 113191387
(3R)-1-(3-chloro-2-methylphenyl)-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 970364
(3S)-1-(2,3-dichlorophenyl)-N-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 124529079
4-[[(3S)-1-(2,3-dichlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoic acid
CID 9056533
(3S)-1-(2,6-dimethylphenyl)-N-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 124523127
(3R)-N-[4-chloro-3-(trifluoromethyl)phenyl]-1-(2,3-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 124529126
(3S)-N-(3,5-dimethylphenyl)-1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 93017598

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2,3-dichlorophenyl)-N-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-(2,3-dichlorophenyl)-N-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 124529134) is (3R)-1-(2,3-dichlorophenyl)-N-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(2,3-dichlorophenyl)-N-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-(2,3-dichlorophenyl)-N-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide is Cc1cc(C)cc(NC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2)c1.
What is the InChIKey of (3R)-1-(2,3-dichlorophenyl)-N-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is GVKXQJCNNQSABE-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H18Cl2N2O2/c1-11-6-12(2)8-14(7-11)22-19(25)13-9-17(24)23(10-13)16-5-3-4-15(20)18(16)21/h3-8,13H,9-10H2,1-2H3,(H,22,25)/t13-/m1/s1.
What are the key properties of (3R)-1-(2,3-dichlorophenyl)-N-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide?
(3R)-1-(2,3-dichlorophenyl)-N-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 377.27 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2,3-dichlorophenyl)-N-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 124529134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).