(3R)-1-(3-chloro-2-methylphenyl)-N-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide

C20H21ClN2O2 — CID 9056272

IUPAC(3R)-1-(3-chloro-2-methylphenyl)-N-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCc1ccccc1NC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2C)C1
InChIInChI=1S/C20H21ClN2O2/c1-3-14-7-4-5-9-17(14)22-20(25)15-11-19(24)23(12-15)18-10-6-8-16(21)13(18)2/h4-10,15H,3,11-12H2,1-2H3,(H,22,25)/t15-/m1/s1
InChIKeyYBMTZCXEAKAPPB-OAHLLOKOSA-N
MW356.85 g/mol
LogP4.20
Rot. Bonds4

About (3R)-1-(3-chloro-2-methylphenyl)-N-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide

(3R)-1-(3-chloro-2-methylphenyl)-N-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 9056272) has the molecular formula C20H21ClN2O2 and a molecular weight of 356.85 g/mol. Its IUPAC name is (3R)-1-(3-chloro-2-methylphenyl)-N-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(3-chloro-2-methylphenyl)-N-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID9056272
Molecular FormulaC20H21ClN2O2
Molecular Weight356.85 g/mol
Exact Mass356.13
IUPAC Name(3R)-1-(3-chloro-2-methylphenyl)-N-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCc1ccccc1NC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2C)C1
InChIInChI=1S/C20H21ClN2O2/c1-3-14-7-4-5-9-17(14)22-20(25)15-11-19(24)23(12-15)18-10-6-8-16(21)13(18)2/h4-10,15H,3,11-12H2,1-2H3,(H,22,25)/t15-/m1/s1
InChIKeyYBMTZCXEAKAPPB-OAHLLOKOSA-N
XLogP4.20
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.85
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dichlorophenyl)-N-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 84916579
(3S)-1-(3-chloro-2-methylphenyl)-N-(2,3-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 9056265
(3S)-1-(3-chloro-2-methylphenyl)-N-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1233393
1-(3-chloro-2-methylphenyl)-N-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2932312
N-(2-tert-butylphenyl)-1-(3-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113187522
[2-(2-ethylanilino)-2-oxoethyl] (3R)-1-(3-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 9170930
(3S)-N-(3-chloro-2-methylphenyl)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 41133153
(3S)-N-(2-chlorophenyl)-1-(2,6-diethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9056331
(3S)-N-(3-chloro-2-methylphenyl)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 30845832
2-[2-[[1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]phenyl]acetic acid
CID 119218549
(3R)-N-(3-chloro-2-methylphenyl)-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7456585
(3R)-1-(2-ethylphenyl)-N-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 9004571

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(3-chloro-2-methylphenyl)-N-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-(3-chloro-2-methylphenyl)-N-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 9056272) is (3R)-1-(3-chloro-2-methylphenyl)-N-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(3-chloro-2-methylphenyl)-N-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-(3-chloro-2-methylphenyl)-N-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide is CCc1ccccc1NC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2C)C1.
What is the InChIKey of (3R)-1-(3-chloro-2-methylphenyl)-N-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is YBMTZCXEAKAPPB-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H21ClN2O2/c1-3-14-7-4-5-9-17(14)22-20(25)15-11-19(24)23(12-15)18-10-6-8-16(21)13(18)2/h4-10,15H,3,11-12H2,1-2H3,(H,22,25)/t15-/m1/s1.
What are the key properties of (3R)-1-(3-chloro-2-methylphenyl)-N-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide?
(3R)-1-(3-chloro-2-methylphenyl)-N-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 356.85 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(3-chloro-2-methylphenyl)-N-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 9056272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).