(2R)-N-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-2-carboxamide

C12H13ClN2O3 — CID 95271416

IUPAC(2R)-N-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-2-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)[C@H]1CCC(=O)N1
InChIInChI=1S/C12H13ClN2O3/c1-18-10-4-2-7(13)6-9(10)15-12(17)8-3-5-11(16)14-8/h2,4,6,8H,3,5H2,1H3,(H,14,16)(H,15,17)/t8-/m1/s1
InChIKeyJRVVGPNIXBOPGG-MRVPVSSYSA-N
MW268.70 g/mol
LogP1.57
Rot. Bonds3

About (2R)-N-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-2-carboxamide

(2R)-N-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-2-carboxamide (PubChem CID 95271416) has the molecular formula C12H13ClN2O3 and a molecular weight of 268.70 g/mol. Its IUPAC name is (2R)-N-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-2-carboxamide
PubChem CID95271416
Molecular FormulaC12H13ClN2O3
Molecular Weight268.70 g/mol
Exact Mass268.06
IUPAC Name(2R)-N-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-2-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)[C@H]1CCC(=O)N1
InChIInChI=1S/C12H13ClN2O3/c1-18-10-4-2-7(13)6-9(10)15-12(17)8-3-5-11(16)14-8/h2,4,6,8H,3,5H2,1H3,(H,14,16)(H,15,17)/t8-/m1/s1
InChIKeyJRVVGPNIXBOPGG-MRVPVSSYSA-N
XLogP1.57
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.70
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-(3,4-difluorophenoxy)-2-methoxyphenyl]-5-oxopyrrolidine-2-carboxamide
CID 166073714
N-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-5-oxopyrrolidine-2-carboxamide
CID 23856712
N-(4,5-dimethoxy-2-methylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 110792994
6-[(5-chloro-2-methoxyphenyl)carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
CID 6469206
N-(4-methoxy-3-methylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 110792509
N-[(3-acetamido-4-methoxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 110794394
(2R)-N-(3,5-dichloro-2-hydroxyphenyl)-5-oxopyrrolidine-2-carboxamide
CID 103891199
N-[2-methoxy-5-[2-(oxan-4-yl)ethenyl]phenyl]-5-oxopyrrolidine-2-carboxamide
CID 175517211
N-(5-chloro-2-methoxyphenyl)-1-methylpiperidine-4-carboxamide
CID 95968068
N-(5-chloro-2-methoxyphenyl)-4-(4-methylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
CID 109147444
(2S)-N-(3-amino-4-methoxyphenyl)-5-oxopyrrolidine-2-carboxamide;hydrochloride
CID 119420078
N-(5-chloro-2-methoxyphenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
CID 79351709

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-2-carboxamide (CID 95271416) is (2R)-N-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-2-carboxamide is COc1ccc(Cl)cc1NC(=O)[C@H]1CCC(=O)N1.
What is the InChIKey of (2R)-N-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-2-carboxamide?
The InChIKey is JRVVGPNIXBOPGG-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H13ClN2O3/c1-18-10-4-2-7(13)6-9(10)15-12(17)8-3-5-11(16)14-8/h2,4,6,8H,3,5H2,1H3,(H,14,16)(H,15,17)/t8-/m1/s1.
What are the key properties of (2R)-N-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-2-carboxamide?
(2R)-N-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-2-carboxamide has a molecular weight of 268.70 g/mol, XLogP of 1.57, 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-methoxyphenyl)-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 95271416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).