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

C19H18Cl2N2O2 — CID 9004637

IUPAC(3R)-1-(2,5-dichlorophenyl)-N-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1cc(C)cc(NC(=O)[C@@H]2CC(=O)N(c3cc(Cl)ccc3Cl)C2)c1
InChIInChI=1S/C19H18Cl2N2O2/c1-11-5-12(2)7-15(6-11)22-19(25)13-8-18(24)23(10-13)17-9-14(20)3-4-16(17)21/h3-7,9,13H,8,10H2,1-2H3,(H,22,25)/t13-/m1/s1
InChIKeyUNMUDLDGTUWUQA-CYBMUJFWSA-N
MW377.27 g/mol
LogP4.60
Rot. Bonds3

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

(3R)-1-(2,5-dichlorophenyl)-N-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 9004637) has the molecular formula C19H18Cl2N2O2 and a molecular weight of 377.27 g/mol. Its IUPAC name is (3R)-1-(2,5-dichlorophenyl)-N-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(2,5-dichlorophenyl)-N-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID9004637
Molecular FormulaC19H18Cl2N2O2
Molecular Weight377.27 g/mol
Exact Mass376.07
IUPAC Name(3R)-1-(2,5-dichlorophenyl)-N-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1cc(C)cc(NC(=O)[C@@H]2CC(=O)N(c3cc(Cl)ccc3Cl)C2)c1
InChIInChI=1S/C19H18Cl2N2O2/c1-11-5-12(2)7-15(6-11)22-19(25)13-8-18(24)23(10-13)17-9-14(20)3-4-16(17)21/h3-7,9,13H,8,10H2,1-2H3,(H,22,25)/t13-/m1/s1
InChIKeyUNMUDLDGTUWUQA-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-(2,5-dichlorophenyl)-5-oxo-N-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide
CID 113191086
(3R)-N-(4-acetamidophenyl)-1-(2,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 9004647
(3R)-1-(2,3-dichlorophenyl)-N-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 124529134
(3S)-1-(2,5-dichlorophenyl)-N-(5-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 29136259
N-(2,5-dichlorophenyl)-1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46686200
(3R)-N-(3,5-dimethylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 880261
(3S)-1-(2-chlorophenyl)-N-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 40569550
N-(4-acetylphenyl)-1-(5-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113187647
N-(2,4-dichlorophenyl)-5-oxo-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide
CID 113186830
(3R)-1-(3-chloro-2-methylphenyl)-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 970364
(3S)-1-(2,6-dimethylphenyl)-N-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 124523127

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2,5-dichlorophenyl)-N-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-(2,5-dichlorophenyl)-N-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 9004637) is (3R)-1-(2,5-dichlorophenyl)-N-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(2,5-dichlorophenyl)-N-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-(2,5-dichlorophenyl)-N-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide is Cc1cc(C)cc(NC(=O)[C@@H]2CC(=O)N(c3cc(Cl)ccc3Cl)C2)c1.
What is the InChIKey of (3R)-1-(2,5-dichlorophenyl)-N-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is UNMUDLDGTUWUQA-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H18Cl2N2O2/c1-11-5-12(2)7-15(6-11)22-19(25)13-8-18(24)23(10-13)17-9-14(20)3-4-16(17)21/h3-7,9,13H,8,10H2,1-2H3,(H,22,25)/t13-/m1/s1.
What are the key properties of (3R)-1-(2,5-dichlorophenyl)-N-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide?
(3R)-1-(2,5-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-(2,5-dichlorophenyl)-N-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 9004637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).