N-benzyl-1-(3-chloro-2-methylphenyl)-N-ethyl-5-oxopyrrolidine-3-carboxamide

C21H23ClN2O2 — CID 113187488

IUPACN-benzyl-1-(3-chloro-2-methylphenyl)-N-ethyl-5-oxopyrrolidine-3-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)C1CC(=O)N(c2cccc(Cl)c2C)C1
InChIInChI=1S/C21H23ClN2O2/c1-3-23(13-16-8-5-4-6-9-16)21(26)17-12-20(25)24(14-17)19-11-7-10-18(22)15(19)2/h4-11,17H,3,12-14H2,1-2H3
InChIKeyIENFMJWFPKXZKI-UHFFFAOYSA-N
MW370.88 g/mol
LogP4.05
Rot. Bonds5

About N-benzyl-1-(3-chloro-2-methylphenyl)-N-ethyl-5-oxopyrrolidine-3-carboxamide

N-benzyl-1-(3-chloro-2-methylphenyl)-N-ethyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 113187488) has the molecular formula C21H23ClN2O2 and a molecular weight of 370.88 g/mol. Its IUPAC name is N-benzyl-1-(3-chloro-2-methylphenyl)-N-ethyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-(3-chloro-2-methylphenyl)-N-ethyl-5-oxopyrrolidine-3-carboxamide
PubChem CID113187488
Molecular FormulaC21H23ClN2O2
Molecular Weight370.88 g/mol
Exact Mass370.14
IUPAC NameN-benzyl-1-(3-chloro-2-methylphenyl)-N-ethyl-5-oxopyrrolidine-3-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)C1CC(=O)N(c2cccc(Cl)c2C)C1
InChIInChI=1S/C21H23ClN2O2/c1-3-23(13-16-8-5-4-6-9-16)21(26)17-12-20(25)24(14-17)19-11-7-10-18(22)15(19)2/h4-11,17H,3,12-14H2,1-2H3
InChIKeyIENFMJWFPKXZKI-UHFFFAOYSA-N
XLogP4.05
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.88
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-N-ethyl-5-oxo-1-quinolin-8-ylpyrrolidine-3-carboxamide
CID 113190542
(3S)-N,N-diethyl-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9350860
1-(4-acetylphenyl)-N-benzyl-N-ethyl-5-oxopyrrolidine-3-carboxamide
CID 113188899
methyl 3-[4-[benzyl(ethyl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate
CID 113189282
1-(2,3-dichlorophenyl)-N-ethyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 113191384
(3S)-N,N-diethyl-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 9350542
(3R)-N-[(2S)-butan-2-yl]-1-(3-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 124750296
N-benzyl-N-ethyl-5-oxo-1-pentylpyrrolidine-3-carboxamide
CID 113185676
(3R)-1-(3-chloro-2-methylphenyl)-N-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9056272
(3S)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 30933762
N-[2-(tert-butylamino)-2-oxoethyl]-1-(2,3-dimethylphenyl)-N-ethyl-5-oxopyrrolidine-3-carboxamide
CID 51156735
1-(5-chloro-2-methoxyphenyl)-N-ethyl-N-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 55594663

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(3-chloro-2-methylphenyl)-N-ethyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-benzyl-1-(3-chloro-2-methylphenyl)-N-ethyl-5-oxopyrrolidine-3-carboxamide (CID 113187488) is N-benzyl-1-(3-chloro-2-methylphenyl)-N-ethyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-benzyl-1-(3-chloro-2-methylphenyl)-N-ethyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-benzyl-1-(3-chloro-2-methylphenyl)-N-ethyl-5-oxopyrrolidine-3-carboxamide is CCN(Cc1ccccc1)C(=O)C1CC(=O)N(c2cccc(Cl)c2C)C1.
What is the InChIKey of N-benzyl-1-(3-chloro-2-methylphenyl)-N-ethyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is IENFMJWFPKXZKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O2/c1-3-23(13-16-8-5-4-6-9-16)21(26)17-12-20(25)24(14-17)19-11-7-10-18(22)15(19)2/h4-11,17H,3,12-14H2,1-2H3.
What are the key properties of N-benzyl-1-(3-chloro-2-methylphenyl)-N-ethyl-5-oxopyrrolidine-3-carboxamide?
N-benzyl-1-(3-chloro-2-methylphenyl)-N-ethyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 370.88 g/mol, XLogP of 4.05, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(3-chloro-2-methylphenyl)-N-ethyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 113187488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).