N-benzyl-1-(3-chloro-4-methylphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide

C20H21ClN2O2 — CID 17080874

IUPACN-benzyl-1-(3-chloro-4-methylphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(N2CC(C(=O)N(C)Cc3ccccc3)CC2=O)cc1Cl
InChIInChI=1S/C20H21ClN2O2/c1-14-8-9-17(11-18(14)21)23-13-16(10-19(23)24)20(25)22(2)12-15-6-4-3-5-7-15/h3-9,11,16H,10,12-13H2,1-2H3
InChIKeyZCSPQHZRUKKCPU-UHFFFAOYSA-N
MW356.85 g/mol
LogP3.66
Rot. Bonds4

About N-benzyl-1-(3-chloro-4-methylphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide

N-benzyl-1-(3-chloro-4-methylphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 17080874) has the molecular formula C20H21ClN2O2 and a molecular weight of 356.85 g/mol. Its IUPAC name is N-benzyl-1-(3-chloro-4-methylphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-(3-chloro-4-methylphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
PubChem CID17080874
Molecular FormulaC20H21ClN2O2
Molecular Weight356.85 g/mol
Exact Mass356.13
IUPAC NameN-benzyl-1-(3-chloro-4-methylphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(N2CC(C(=O)N(C)Cc3ccccc3)CC2=O)cc1Cl
InChIInChI=1S/C20H21ClN2O2/c1-14-8-9-17(11-18(14)21)23-13-16(10-19(23)24)20(25)22(2)12-15-6-4-3-5-7-15/h3-9,11,16H,10,12-13H2,1-2H3
InChIKeyZCSPQHZRUKKCPU-UHFFFAOYSA-N
XLogP3.66
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.85
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-chloro-2-methylphenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
CID 534602
(S)-2-chloro-4-((2-chlorobenzyl)(1-isopropyl-5-oxopyrrolidin-3-yl)amino)benzonitrile
CID 44517777
(S)-2-chloro-4-((2-chloro-5-fluorobenzyl)(1-ethyl-5-oxopyrrolidin-3-yl)amino)benzonitrile
CID 44517778
(S)-2-chloro-4-((2,5-dichlorobenzyl)(1-ethyl-5-oxopyrrolidin-3-yl)amino)benzonitrile
CID 45269462
(S)-2-chloro-4-((2-chlorobenzyl)(1-methyl-5-oxopyrrolidin-3-yl)amino)benzonitrile
CID 45271113
(S)-2-chloro-4-((1-ethyl-5-oxopyrrolidin-3-yl)(2-methylbenzyl)amino)benzonitrile
CID 45272011
1-[3-(3-Chloro-2-methylanilino)-3-oxopropyl]piperidine-4-carboxamide
CID 883576
N-(3-chlorophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 571477
N-(3-chlorophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
CID 3112066
1-allyl-N-(3-chloro-4-methylphenyl)-2-oxo-1,2-dihydro-3-pyridinecarboxamide
CID 1486112
1-(4-Chlorophenyl)-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 6462900
1-(4-Chlorophenyl)-4-(3-methylpiperidine-1-carbonyl)pyrrolidin-2-one
CID 6463672

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(3-chloro-4-methylphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-benzyl-1-(3-chloro-4-methylphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide (CID 17080874) is N-benzyl-1-(3-chloro-4-methylphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-benzyl-1-(3-chloro-4-methylphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-benzyl-1-(3-chloro-4-methylphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide is Cc1ccc(N2CC(C(=O)N(C)Cc3ccccc3)CC2=O)cc1Cl.
What is the InChIKey of N-benzyl-1-(3-chloro-4-methylphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is ZCSPQHZRUKKCPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O2/c1-14-8-9-17(11-18(14)21)23-13-16(10-19(23)24)20(25)22(2)12-15-6-4-3-5-7-15/h3-9,11,16H,10,12-13H2,1-2H3.
What are the key properties of N-benzyl-1-(3-chloro-4-methylphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide?
N-benzyl-1-(3-chloro-4-methylphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 356.85 g/mol, XLogP of 3.66, 4 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-4-methylphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 17080874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).