(2S)-1-(4-chloro-2-methylphenyl)-5-oxopyrrolidine-2-carboxamide

C12H13ClN2O2 — CID 118705031

IUPAC(2S)-1-(4-chloro-2-methylphenyl)-5-oxopyrrolidine-2-carboxamide
SMILESCc1cc(Cl)ccc1N1C(=O)CC[C@H]1C(N)=O
InChIInChI=1S/C12H13ClN2O2/c1-7-6-8(13)2-3-9(7)15-10(12(14)17)4-5-11(15)16/h2-3,6,10H,4-5H2,1H3,(H2,14,17)/t10-/m0/s1
InChIKeyUXHZPBWILYFZGR-JTQLQIEISA-N
MW252.70 g/mol
LogP1.63
Rot. Bonds2

About (2S)-1-(4-chloro-2-methylphenyl)-5-oxopyrrolidine-2-carboxamide

(2S)-1-(4-chloro-2-methylphenyl)-5-oxopyrrolidine-2-carboxamide (PubChem CID 118705031) has the molecular formula C12H13ClN2O2 and a molecular weight of 252.70 g/mol. Its IUPAC name is (2S)-1-(4-chloro-2-methylphenyl)-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-(4-chloro-2-methylphenyl)-5-oxopyrrolidine-2-carboxamide
PubChem CID118705031
Molecular FormulaC12H13ClN2O2
Molecular Weight252.70 g/mol
Exact Mass252.07
IUPAC Name(2S)-1-(4-chloro-2-methylphenyl)-5-oxopyrrolidine-2-carboxamide
SMILESCc1cc(Cl)ccc1N1C(=O)CC[C@H]1C(N)=O
InChIInChI=1S/C12H13ClN2O2/c1-7-6-8(13)2-3-9(7)15-10(12(14)17)4-5-11(15)16/h2-3,6,10H,4-5H2,1H3,(H2,14,17)/t10-/m0/s1
InChIKeyUXHZPBWILYFZGR-JTQLQIEISA-N
XLogP1.63
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.70
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-(2-methylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 171323293
1-(4-chloro-2-methylphenyl)pyrrolidine-2,5-dione
CID 82080534
(2S)-1-(4-hydroxyphenyl)-5-oxopyrrolidine-2-carboxamide
CID 54336988
N-(4-chloro-2-methylphenyl)-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 110687350
ethyl 7-chloro-5-methyl-1-oxo-3,3a-dihydro-2H-pyrrolo[1,2-a]quinoline-4-carboxylate
CID 71732168
N-(5-chloro-2-methylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 110373823
(2S)-1-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-2-carboxylic acid
CID 42260725
1-benzyl-6-chloro-3,4-dihydro-2H-quinoline-2-carboxamide
CID 173155024
methyl (2R)-1-(4-chlorophenyl)-5-oxopyrrolidine-2-carboxylate
CID 42261094
(2R)-1-(2,4-difluorophenyl)-5-oxopyrrolidine-2-carboxylic acid
CID 42260924
N-[(4-chloro-2-methylphenyl)methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide
CID 42642598
5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
CID 121229069

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4-chloro-2-methylphenyl)-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-(4-chloro-2-methylphenyl)-5-oxopyrrolidine-2-carboxamide (CID 118705031) is (2S)-1-(4-chloro-2-methylphenyl)-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-(4-chloro-2-methylphenyl)-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-(4-chloro-2-methylphenyl)-5-oxopyrrolidine-2-carboxamide is Cc1cc(Cl)ccc1N1C(=O)CC[C@H]1C(N)=O.
What is the InChIKey of (2S)-1-(4-chloro-2-methylphenyl)-5-oxopyrrolidine-2-carboxamide?
The InChIKey is UXHZPBWILYFZGR-JTQLQIEISA-N. The full InChI is InChI=1S/C12H13ClN2O2/c1-7-6-8(13)2-3-9(7)15-10(12(14)17)4-5-11(15)16/h2-3,6,10H,4-5H2,1H3,(H2,14,17)/t10-/m0/s1.
What are the key properties of (2S)-1-(4-chloro-2-methylphenyl)-5-oxopyrrolidine-2-carboxamide?
(2S)-1-(4-chloro-2-methylphenyl)-5-oxopyrrolidine-2-carboxamide has a molecular weight of 252.70 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(4-chloro-2-methylphenyl)-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 118705031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).