1-benzyl-N-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide

C19H19ClN2O2 — CID 110387587

IUPAC1-benzyl-N-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide
SMILESO=C(NCc1ccccc1Cl)C1CCC(=O)N1Cc1ccccc1
InChIInChI=1S/C19H19ClN2O2/c20-16-9-5-4-8-15(16)12-21-19(24)17-10-11-18(23)22(17)13-14-6-2-1-3-7-14/h1-9,17H,10-13H2,(H,21,24)
InChIKeyNRWONNHNYNEJPW-UHFFFAOYSA-N
MW342.83 g/mol
LogP3.15
Rot. Bonds5

About 1-benzyl-N-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide

1-benzyl-N-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 110387587) has the molecular formula C19H19ClN2O2 and a molecular weight of 342.83 g/mol. Its IUPAC name is 1-benzyl-N-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide
PubChem CID110387587
Molecular FormulaC19H19ClN2O2
Molecular Weight342.83 g/mol
Exact Mass342.11
IUPAC Name1-benzyl-N-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide
SMILESO=C(NCc1ccccc1Cl)C1CCC(=O)N1Cc1ccccc1
InChIInChI=1S/C19H19ClN2O2/c20-16-9-5-4-8-15(16)12-21-19(24)17-10-11-18(23)22(17)13-14-6-2-1-3-7-14/h1-9,17H,10-13H2,(H,21,24)
InChIKeyNRWONNHNYNEJPW-UHFFFAOYSA-N
XLogP3.15
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1-benzyl-N-[(2,4-dichlorophenyl)methyl]-6-oxopiperidine-2-carboxamide
CID 71454380
1-benzyl-N-[(2,5-dichlorophenyl)methyl]-6-oxopiperidine-2-carboxamide
CID 25015841
(2R)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid
CID 40516924
1-benzyl-N-[2-(2-hydroxyphenyl)ethyl]-5-oxopyrrolidine-2-carboxamide
CID 110614844
1-[(2-chlorophenyl)methyl]-5-oxo-N-propan-2-ylpyrrolidine-2-carboxamide
CID 4062433
(2S)-N-benzyl-1-(hydroxymethyl)-5-oxopyrrolidine-2-carboxamide
CID 15682110
1-benzyl-N-[2-(cyclopropylamino)-2-oxoethyl]-5-oxopyrrolidine-2-carboxamide
CID 110625068
(2S)-1-[(2-chlorophenyl)methyl]-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-2-carboxamide
CID 92696544
(2R)-N-benzyl-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
CID 95739125
N-benzyl-5-oxo-1-prop-2-ynylpyrrolidine-2-carboxamide
CID 21291420
1-benzyl-5-oxo-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidine-2-carboxamide
CID 110408580
1-benzyl-N-(2-methyl-3-phenylpropyl)-5-oxopyrrolidine-2-carboxamide
CID 110608606

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of 1-benzyl-N-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide (CID 110387587) is 1-benzyl-N-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for 1-benzyl-N-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for 1-benzyl-N-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide is O=C(NCc1ccccc1Cl)C1CCC(=O)N1Cc1ccccc1.
What is the InChIKey of 1-benzyl-N-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide?
The InChIKey is NRWONNHNYNEJPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O2/c20-16-9-5-4-8-15(16)12-21-19(24)17-10-11-18(23)22(17)13-14-6-2-1-3-7-14/h1-9,17H,10-13H2,(H,21,24).
What are the key properties of 1-benzyl-N-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide?
1-benzyl-N-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide has a molecular weight of 342.83 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 110387587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).