(2R)-N-[5-chloro-2-(methylcarbamoyl)phenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide

C14H16ClN3O3 — CID 166256094

IUPAC(2R)-N-[5-chloro-2-(methylcarbamoyl)phenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
SMILESCNC(=O)c1ccc(Cl)cc1NC(=O)[C@H]1CCC(=O)N1C
InChIInChI=1S/C14H16ClN3O3/c1-16-13(20)9-4-3-8(15)7-10(9)17-14(21)11-5-6-12(19)18(11)2/h3-4,7,11H,5-6H2,1-2H3,(H,16,20)(H,17,21)/t11-/m1/s1
InChIKeyGRJSMYRSYRCAFB-LLVKDONJSA-N
MW309.75 g/mol
LogP1.26
Rot. Bonds3

About (2R)-N-[5-chloro-2-(methylcarbamoyl)phenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide

(2R)-N-[5-chloro-2-(methylcarbamoyl)phenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide (PubChem CID 166256094) has the molecular formula C14H16ClN3O3 and a molecular weight of 309.75 g/mol. Its IUPAC name is (2R)-N-[5-chloro-2-(methylcarbamoyl)phenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[5-chloro-2-(methylcarbamoyl)phenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
PubChem CID166256094
Molecular FormulaC14H16ClN3O3
Molecular Weight309.75 g/mol
Exact Mass309.09
IUPAC Name(2R)-N-[5-chloro-2-(methylcarbamoyl)phenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
SMILESCNC(=O)c1ccc(Cl)cc1NC(=O)[C@H]1CCC(=O)N1C
InChIInChI=1S/C14H16ClN3O3/c1-16-13(20)9-4-3-8(15)7-10(9)17-14(21)11-5-6-12(19)18(11)2/h3-4,7,11H,5-6H2,1-2H3,(H,16,20)(H,17,21)/t11-/m1/s1
InChIKeyGRJSMYRSYRCAFB-LLVKDONJSA-N
XLogP1.26
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.75
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chloro-2-methylphenyl)-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 110687350
N-(2,5-dimethylphenyl)-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 110687327
N-[1-(2,4-dichlorophenyl)ethyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 132837563
N-(4-acetamidophenyl)-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 110687377
N-(2-methoxyphenyl)-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 110687358
N-(5-chloro-2-methylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 110373823
(2S)-N-[5-[(5-chloro-2-pyridinyl)oxy]-2-methoxyphenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 166074134
N-[2-fluoro-5-[4-(trifluoromethoxy)phenoxy]phenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 166073681
(2S)-N-[2-fluoro-5-[4-(trifluoromethyl)phenoxy]phenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 166073744
N-(4-acetylphenyl)-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 110687375
(2S)-N-[5-(3,4-difluorophenoxy)-2,3-dihydro-1-benzofuran-7-yl]-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 166073781
N-[1-(3-chlorophenyl)-5-methylpyrazol-4-yl]-1-methyl-6-oxopiperidine-2-carboxamide
CID 146133040

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[5-chloro-2-(methylcarbamoyl)phenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-[5-chloro-2-(methylcarbamoyl)phenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide (CID 166256094) is (2R)-N-[5-chloro-2-(methylcarbamoyl)phenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[5-chloro-2-(methylcarbamoyl)phenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-[5-chloro-2-(methylcarbamoyl)phenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide is CNC(=O)c1ccc(Cl)cc1NC(=O)[C@H]1CCC(=O)N1C.
What is the InChIKey of (2R)-N-[5-chloro-2-(methylcarbamoyl)phenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide?
The InChIKey is GRJSMYRSYRCAFB-LLVKDONJSA-N. The full InChI is InChI=1S/C14H16ClN3O3/c1-16-13(20)9-4-3-8(15)7-10(9)17-14(21)11-5-6-12(19)18(11)2/h3-4,7,11H,5-6H2,1-2H3,(H,16,20)(H,17,21)/t11-/m1/s1.
What are the key properties of (2R)-N-[5-chloro-2-(methylcarbamoyl)phenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide?
(2R)-N-[5-chloro-2-(methylcarbamoyl)phenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide has a molecular weight of 309.75 g/mol, XLogP of 1.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[5-chloro-2-(methylcarbamoyl)phenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 166256094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).