N-[1-(3-chlorophenyl)-5-oxopyrrolidin-3-yl]-1-ethyl-2,5-dimethylpyrrole-3-carboxamide

C19H22ClN3O2 — CID 118781656

IUPACN-[1-(3-chlorophenyl)-5-oxopyrrolidin-3-yl]-1-ethyl-2,5-dimethylpyrrole-3-carboxamide
SMILESCCn1c(C)cc(C(=O)NC2CC(=O)N(c3cccc(Cl)c3)C2)c1C
InChIInChI=1S/C19H22ClN3O2/c1-4-22-12(2)8-17(13(22)3)19(25)21-15-10-18(24)23(11-15)16-7-5-6-14(20)9-16/h5-9,15H,4,10-11H2,1-3H3,(H,21,25)
InChIKeyYAEOJULEUDHXDD-UHFFFAOYSA-N
MW359.86 g/mol
LogP3.31
Rot. Bonds4

About N-[1-(3-chlorophenyl)-5-oxopyrrolidin-3-yl]-1-ethyl-2,5-dimethylpyrrole-3-carboxamide

N-[1-(3-chlorophenyl)-5-oxopyrrolidin-3-yl]-1-ethyl-2,5-dimethylpyrrole-3-carboxamide (PubChem CID 118781656) has the molecular formula C19H22ClN3O2 and a molecular weight of 359.86 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)-5-oxopyrrolidin-3-yl]-1-ethyl-2,5-dimethylpyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)-5-oxopyrrolidin-3-yl]-1-ethyl-2,5-dimethylpyrrole-3-carboxamide
PubChem CID118781656
Molecular FormulaC19H22ClN3O2
Molecular Weight359.86 g/mol
Exact Mass359.14
IUPAC NameN-[1-(3-chlorophenyl)-5-oxopyrrolidin-3-yl]-1-ethyl-2,5-dimethylpyrrole-3-carboxamide
SMILESCCn1c(C)cc(C(=O)NC2CC(=O)N(c3cccc(Cl)c3)C2)c1C
InChIInChI=1S/C19H22ClN3O2/c1-4-22-12(2)8-17(13(22)3)19(25)21-15-10-18(24)23(11-15)16-7-5-6-14(20)9-16/h5-9,15H,4,10-11H2,1-3H3,(H,21,25)
InChIKeyYAEOJULEUDHXDD-UHFFFAOYSA-N
XLogP3.31
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.86
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-(3-chlorophenyl)-5-oxopyrrolidin-3-yl]-1-ethyl-2,5-dimethylpyrrole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-N-(5-oxo-1-phenylpyrrolidin-3-yl)benzamide
CID 16822090
3-chloro-N-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7547239
3-chloro-N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7548145
3-chloro-N-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7564303
5-chloro-N-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-2-methoxybenzamide
CID 7255711
4-chloro-N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 16822178
N-[(3S)-1-(3-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-(3-methyl-2-oxoimidazolidin-1-yl)acetamide
CID 125170725
3-chloro-N-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7563634
2-methoxy-N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7548070
4-(3-chlorophenyl)-N-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]piperazine-1-carboxamide
CID 7490033
5-chloro-N-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2-methoxybenzamide
CID 7549059
2-chloro-N-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]acetamide
CID 7563337

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)-5-oxopyrrolidin-3-yl]-1-ethyl-2,5-dimethylpyrrole-3-carboxamide?
The IUPAC name of N-[1-(3-chlorophenyl)-5-oxopyrrolidin-3-yl]-1-ethyl-2,5-dimethylpyrrole-3-carboxamide (CID 118781656) is N-[1-(3-chlorophenyl)-5-oxopyrrolidin-3-yl]-1-ethyl-2,5-dimethylpyrrole-3-carboxamide.
What is the SMILES notation for N-[1-(3-chlorophenyl)-5-oxopyrrolidin-3-yl]-1-ethyl-2,5-dimethylpyrrole-3-carboxamide?
The canonical SMILES for N-[1-(3-chlorophenyl)-5-oxopyrrolidin-3-yl]-1-ethyl-2,5-dimethylpyrrole-3-carboxamide is CCn1c(C)cc(C(=O)NC2CC(=O)N(c3cccc(Cl)c3)C2)c1C.
What is the InChIKey of N-[1-(3-chlorophenyl)-5-oxopyrrolidin-3-yl]-1-ethyl-2,5-dimethylpyrrole-3-carboxamide?
The InChIKey is YAEOJULEUDHXDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O2/c1-4-22-12(2)8-17(13(22)3)19(25)21-15-10-18(24)23(11-15)16-7-5-6-14(20)9-16/h5-9,15H,4,10-11H2,1-3H3,(H,21,25).
What are the key properties of N-[1-(3-chlorophenyl)-5-oxopyrrolidin-3-yl]-1-ethyl-2,5-dimethylpyrrole-3-carboxamide?
N-[1-(3-chlorophenyl)-5-oxopyrrolidin-3-yl]-1-ethyl-2,5-dimethylpyrrole-3-carboxamide has a molecular weight of 359.86 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)-5-oxopyrrolidin-3-yl]-1-ethyl-2,5-dimethylpyrrole-3-carboxamide is sourced from PubChem (CID 118781656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).