N-[(2-chlorophenyl)methyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide

C13H17ClN2O2 — CID 54869026

IUPACN-[(2-chlorophenyl)methyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide
SMILESCN(Cc1ccccc1Cl)C(=O)C1CC(O)CN1
InChIInChI=1S/C13H17ClN2O2/c1-16(8-9-4-2-3-5-11(9)14)13(18)12-6-10(17)7-15-12/h2-5,10,12,15,17H,6-8H2,1H3
InChIKeyDHTAFAAUTDCRCT-UHFFFAOYSA-N
MW268.74 g/mol
LogP1.02
Rot. Bonds3

About N-[(2-chlorophenyl)methyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide

N-[(2-chlorophenyl)methyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide (PubChem CID 54869026) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide
PubChem CID54869026
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC NameN-[(2-chlorophenyl)methyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide
SMILESCN(Cc1ccccc1Cl)C(=O)C1CC(O)CN1
InChIInChI=1S/C13H17ClN2O2/c1-16(8-9-4-2-3-5-11(9)14)13(18)12-6-10(17)7-15-12/h2-5,10,12,15,17H,6-8H2,1H3
InChIKeyDHTAFAAUTDCRCT-UHFFFAOYSA-N
XLogP1.02
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,4S)-N-[(2-chlorophenyl)methyl]-N-ethyl-4-hydroxypyrrolidine-2-carboxamide
CID 93370537
(2S,4S)-N-[(2-chlorophenyl)methyl]-N-ethyl-4-hydroxypyrrolidine-2-carboxamide
CID 93370536
(2R,4R)-N-[(5-chloro-2-methoxyphenyl)methyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide
CID 125138507
(2R,4S)-N-[(5-chloro-2-methoxyphenyl)methyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide
CID 125138973
N-[(2-chlorophenyl)methyl]-N-methylpiperidine-2-carboxamide;hydrochloride
CID 119267602
N-[(2-chlorophenyl)methyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride
CID 119267609
(2R,4S)-4-hydroxy-N-methyl-N-[(4-phenylphenyl)methyl]pyrrolidine-2-carboxamide
CID 125153912
(2R,4R)-4-hydroxy-N-methyl-N-(2-naphthalen-1-ylethyl)pyrrolidine-2-carboxamide
CID 124726613
(2S,4S)-N-[(2-chlorophenyl)methyl]-4-hydroxypyrrolidine-2-carboxamide
CID 28944036
(2S)-N-[(2-chlorophenyl)methyl]-N-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 61163671
N-[(4-tert-butylphenyl)methyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide
CID 60936759
N-[(2-chlorophenyl)methyl]-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119267603

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide (CID 54869026) is N-[(2-chlorophenyl)methyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide is CN(Cc1ccccc1Cl)C(=O)C1CC(O)CN1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide?
The InChIKey is DHTAFAAUTDCRCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c1-16(8-9-4-2-3-5-11(9)14)13(18)12-6-10(17)7-15-12/h2-5,10,12,15,17H,6-8H2,1H3.
What are the key properties of N-[(2-chlorophenyl)methyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide?
N-[(2-chlorophenyl)methyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide has a molecular weight of 268.74 g/mol, XLogP of 1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 54869026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).