(3S)-1-(2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide

C11H11ClN2O2 — CID 42579807

IUPAC(3S)-1-(2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESNC(=O)[C@H]1CC(=O)N(c2ccccc2Cl)C1
InChIInChI=1S/C11H11ClN2O2/c12-8-3-1-2-4-9(8)14-6-7(11(13)16)5-10(14)15/h1-4,7H,5-6H2,(H2,13,16)/t7-/m0/s1
InChIKeyQBYMWCJELRJYJA-ZETCQYMHSA-N
MW238.67 g/mol
LogP1.18
Rot. Bonds2

About (3S)-1-(2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide

(3S)-1-(2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 42579807) has the molecular formula C11H11ClN2O2 and a molecular weight of 238.67 g/mol. Its IUPAC name is (3S)-1-(2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID42579807
Molecular FormulaC11H11ClN2O2
Molecular Weight238.67 g/mol
Exact Mass238.05
IUPAC Name(3S)-1-(2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESNC(=O)[C@H]1CC(=O)N(c2ccccc2Cl)C1
InChIInChI=1S/C11H11ClN2O2/c12-8-3-1-2-4-9(8)14-6-7(11(13)16)5-10(14)15/h1-4,7H,5-6H2,(H2,13,16)/t7-/m0/s1
InChIKeyQBYMWCJELRJYJA-ZETCQYMHSA-N
XLogP1.18
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.67
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3R)-1-(2-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
CID 32978569
1-(2-cyclopropylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 168698149
(3S)-1-(4-carbamoyl-2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 94076113
1-[2-(aminomethyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 168697394
1-(5-acetyl-2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 168696136
1-(2-methylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 168696654
1-(2,3-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 168698402
1-(2-amino-3,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 168698272
1-(4,5-dichloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 168696708
1-[2-(4-acetylpiperazin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 50882349
(3S)-1-(2-chlorophenyl)-N-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 40569550
5-oxo-1-(1-oxo-3H-2-benzofuran-4-yl)pyrrolidine-3-carboxamide
CID 168698429

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-(2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide (CID 42579807) is (3S)-1-(2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-(2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide is NC(=O)[C@H]1CC(=O)N(c2ccccc2Cl)C1.
What is the InChIKey of (3S)-1-(2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is QBYMWCJELRJYJA-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H11ClN2O2/c12-8-3-1-2-4-9(8)14-6-7(11(13)16)5-10(14)15/h1-4,7H,5-6H2,(H2,13,16)/t7-/m0/s1.
What are the key properties of (3S)-1-(2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide?
(3S)-1-(2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 238.67 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 42579807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).