(3R)-1-[(2-chlorophenyl)methyl]-N-(2-ethyl-6-methylphenyl)-5-oxopyrrolidine-3-carboxamide

C21H23ClN2O2 — CID 8761573

IUPAC(3R)-1-[(2-chlorophenyl)methyl]-N-(2-ethyl-6-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCc1cccc(C)c1NC(=O)[C@@H]1CC(=O)N(Cc2ccccc2Cl)C1
InChIInChI=1S/C21H23ClN2O2/c1-3-15-9-6-7-14(2)20(15)23-21(26)17-11-19(25)24(13-17)12-16-8-4-5-10-18(16)22/h4-10,17H,3,11-13H2,1-2H3,(H,23,26)/t17-/m1/s1
InChIKeyOMPRKLVCTCJHBA-QGZVFWFLSA-N
MW370.88 g/mol
LogP4.20
Rot. Bonds5

About (3R)-1-[(2-chlorophenyl)methyl]-N-(2-ethyl-6-methylphenyl)-5-oxopyrrolidine-3-carboxamide

(3R)-1-[(2-chlorophenyl)methyl]-N-(2-ethyl-6-methylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 8761573) has the molecular formula C21H23ClN2O2 and a molecular weight of 370.88 g/mol. Its IUPAC name is (3R)-1-[(2-chlorophenyl)methyl]-N-(2-ethyl-6-methylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[(2-chlorophenyl)methyl]-N-(2-ethyl-6-methylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID8761573
Molecular FormulaC21H23ClN2O2
Molecular Weight370.88 g/mol
Exact Mass370.14
IUPAC Name(3R)-1-[(2-chlorophenyl)methyl]-N-(2-ethyl-6-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCc1cccc(C)c1NC(=O)[C@@H]1CC(=O)N(Cc2ccccc2Cl)C1
InChIInChI=1S/C21H23ClN2O2/c1-3-15-9-6-7-14(2)20(15)23-21(26)17-11-19(25)24(13-17)12-16-8-4-5-10-18(16)22/h4-10,17H,3,11-13H2,1-2H3,(H,23,26)/t17-/m1/s1
InChIKeyOMPRKLVCTCJHBA-QGZVFWFLSA-N
XLogP4.20
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.88
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1-[(2-chlorophenyl)methyl]-N-(4-methyl-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 8840432
(3S)-1-butyl-N-(2-ethyl-6-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9398612
1-[(2-chlorophenyl)methyl]-N-(3-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 45492463
N-(4-acetamidophenyl)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 78756753
(3R)-N-(4-acetamidophenyl)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 8701516
(3S)-N-(5-chloro-2-methylphenyl)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 8502335
1-[(2-chlorophenyl)methyl]-N-(6-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 42651590
1-[(2-chlorophenyl)methyl]-N-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 78758974
(3R)-1-[(2-chlorophenyl)methyl]-N-(4-fluoro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8865073
1-[(2-chlorophenyl)methyl]-N-(4-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42651418
(3S)-N-(4-acetylphenyl)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 8712834
(3S)-1-[(2-chlorophenyl)methyl]-N-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8745664

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(2-chlorophenyl)methyl]-N-(2-ethyl-6-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-[(2-chlorophenyl)methyl]-N-(2-ethyl-6-methylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 8761573) is (3R)-1-[(2-chlorophenyl)methyl]-N-(2-ethyl-6-methylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[(2-chlorophenyl)methyl]-N-(2-ethyl-6-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-[(2-chlorophenyl)methyl]-N-(2-ethyl-6-methylphenyl)-5-oxopyrrolidine-3-carboxamide is CCc1cccc(C)c1NC(=O)[C@@H]1CC(=O)N(Cc2ccccc2Cl)C1.
What is the InChIKey of (3R)-1-[(2-chlorophenyl)methyl]-N-(2-ethyl-6-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is OMPRKLVCTCJHBA-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H23ClN2O2/c1-3-15-9-6-7-14(2)20(15)23-21(26)17-11-19(25)24(13-17)12-16-8-4-5-10-18(16)22/h4-10,17H,3,11-13H2,1-2H3,(H,23,26)/t17-/m1/s1.
What are the key properties of (3R)-1-[(2-chlorophenyl)methyl]-N-(2-ethyl-6-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
(3R)-1-[(2-chlorophenyl)methyl]-N-(2-ethyl-6-methylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 370.88 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(2-chlorophenyl)methyl]-N-(2-ethyl-6-methylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 8761573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).