N-[1-(2,4-dichlorophenyl)ethyl]-1-methyl-5-oxopyrrolidine-2-carboxamide

C14H16Cl2N2O2 — CID 132837563

IUPACN-[1-(2,4-dichlorophenyl)ethyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
SMILESCC(NC(=O)C1CCC(=O)N1C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H16Cl2N2O2/c1-8(10-4-3-9(15)7-11(10)16)17-14(20)12-5-6-13(19)18(12)2/h3-4,7-8,12H,5-6H2,1-2H3,(H,17,20)
InChIKeyYLQSVHNJXYDRPB-UHFFFAOYSA-N
MW315.20 g/mol
LogP2.79
Rot. Bonds3

About N-[1-(2,4-dichlorophenyl)ethyl]-1-methyl-5-oxopyrrolidine-2-carboxamide

N-[1-(2,4-dichlorophenyl)ethyl]-1-methyl-5-oxopyrrolidine-2-carboxamide (PubChem CID 132837563) has the molecular formula C14H16Cl2N2O2 and a molecular weight of 315.20 g/mol. Its IUPAC name is N-[1-(2,4-dichlorophenyl)ethyl]-1-methyl-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2,4-dichlorophenyl)ethyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
PubChem CID132837563
Molecular FormulaC14H16Cl2N2O2
Molecular Weight315.20 g/mol
Exact Mass314.06
IUPAC NameN-[1-(2,4-dichlorophenyl)ethyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
SMILESCC(NC(=O)C1CCC(=O)N1C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H16Cl2N2O2/c1-8(10-4-3-9(15)7-11(10)16)17-14(20)12-5-6-13(19)18(12)2/h3-4,7-8,12H,5-6H2,1-2H3,(H,17,20)
InChIKeyYLQSVHNJXYDRPB-UHFFFAOYSA-N
XLogP2.79
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.20
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1S,2R)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-methylcyclopropane-1-carboxamide
CID 31200966
N-[1-(2,4-dichlorophenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119683877
(2R)-N-[(S)-(4-chlorophenyl)-thiophen-3-ylmethyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 124619301
1-cyclopropyl-3-[(1R)-1-(2,4-dichlorophenyl)ethyl]urea
CID 29023001
2-[cyclopropyl(methyl)amino]-N-[1-(2,4-dichlorophenyl)ethyl]acetamide
CID 42956358
N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-methylbutanamide
CID 51968542
N-[1-(2,4-dichlorophenyl)ethyl]-5-oxopiperazine-2-carboxamide
CID 107433640
(2R)-N-[5-chloro-2-(methylcarbamoyl)phenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 166256094
N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2-[(2R)-2,4-dimethylpiperazin-1-yl]acetamide
CID 98798810
(2S)-2-chloro-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]propanamide
CID 2118112
2-[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]acetamide
CID 11919459
1-[[(1R)-1-(2,4-dichlorophenyl)ethyl]carbamoyl]piperidine-3-carboxylic acid
CID 122012056

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dichlorophenyl)ethyl]-1-methyl-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-[1-(2,4-dichlorophenyl)ethyl]-1-methyl-5-oxopyrrolidine-2-carboxamide (CID 132837563) is N-[1-(2,4-dichlorophenyl)ethyl]-1-methyl-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N-[1-(2,4-dichlorophenyl)ethyl]-1-methyl-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N-[1-(2,4-dichlorophenyl)ethyl]-1-methyl-5-oxopyrrolidine-2-carboxamide is CC(NC(=O)C1CCC(=O)N1C)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[1-(2,4-dichlorophenyl)ethyl]-1-methyl-5-oxopyrrolidine-2-carboxamide?
The InChIKey is YLQSVHNJXYDRPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N2O2/c1-8(10-4-3-9(15)7-11(10)16)17-14(20)12-5-6-13(19)18(12)2/h3-4,7-8,12H,5-6H2,1-2H3,(H,17,20).
What are the key properties of N-[1-(2,4-dichlorophenyl)ethyl]-1-methyl-5-oxopyrrolidine-2-carboxamide?
N-[1-(2,4-dichlorophenyl)ethyl]-1-methyl-5-oxopyrrolidine-2-carboxamide has a molecular weight of 315.20 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dichlorophenyl)ethyl]-1-methyl-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 132837563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).