N-(5-acetamido-2-chlorophenyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide

C18H22ClN3O3 — CID 55916981

IUPACN-(5-acetamido-2-chlorophenyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
SMILESCC(=O)Nc1ccc(Cl)c(NC(=O)C2CC(=O)N(C3CCCC3)C2)c1
InChIInChI=1S/C18H22ClN3O3/c1-11(23)20-13-6-7-15(19)16(9-13)21-18(25)12-8-17(24)22(10-12)14-4-2-3-5-14/h6-7,9,12,14H,2-5,8,10H2,1H3,(H,20,23)(H,21,25)
InChIKeyMLGUURAORIUYJW-UHFFFAOYSA-N
MW363.85 g/mol
LogP3.03
Rot. Bonds4

About N-(5-acetamido-2-chlorophenyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide

N-(5-acetamido-2-chlorophenyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 55916981) has the molecular formula C18H22ClN3O3 and a molecular weight of 363.85 g/mol. Its IUPAC name is N-(5-acetamido-2-chlorophenyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-acetamido-2-chlorophenyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
PubChem CID55916981
Molecular FormulaC18H22ClN3O3
Molecular Weight363.85 g/mol
Exact Mass363.13
IUPAC NameN-(5-acetamido-2-chlorophenyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
SMILESCC(=O)Nc1ccc(Cl)c(NC(=O)C2CC(=O)N(C3CCCC3)C2)c1
InChIInChI=1S/C18H22ClN3O3/c1-11(23)20-13-6-7-15(19)16(9-13)21-18(25)12-8-17(24)22(10-12)14-4-2-3-5-14/h6-7,9,12,14H,2-5,8,10H2,1H3,(H,20,23)(H,21,25)
InChIKeyMLGUURAORIUYJW-UHFFFAOYSA-N
XLogP3.03
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.85
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclobutyl-N-(3,4-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 110687616
N-(4-acetamidophenyl)-1-cycloheptyl-5-oxopyrrolidine-3-carboxamide
CID 113185550
N-(3-chloro-4-methylphenyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 17081380
N-(2-chloro-5-nitrophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
CID 17257412
(3R)-1-cyclopentyl-N-(2,3-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 9364649
N-[4-chloro-3-(ethylcarbamoyl)phenyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 131947393
1-cyclohexyl-N-(2,4-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 2927358
N-(4-chloro-2,5-dimethoxyphenyl)-1-cycloheptyl-5-oxopyrrolidine-3-carboxamide
CID 113185580
(3S)-N-(5-chloro-2-methylphenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
CID 6920596
(3S)-N-(4-acetylphenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
CID 802193
1-cyclopentyl-N-[3-(cyclopropanecarbonylamino)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 46568551
(3R)-1-cyclohexyl-N-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 40596002

Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-2-chlorophenyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(5-acetamido-2-chlorophenyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide (CID 55916981) is N-(5-acetamido-2-chlorophenyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(5-acetamido-2-chlorophenyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(5-acetamido-2-chlorophenyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide is CC(=O)Nc1ccc(Cl)c(NC(=O)C2CC(=O)N(C3CCCC3)C2)c1.
What is the InChIKey of N-(5-acetamido-2-chlorophenyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is MLGUURAORIUYJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O3/c1-11(23)20-13-6-7-15(19)16(9-13)21-18(25)12-8-17(24)22(10-12)14-4-2-3-5-14/h6-7,9,12,14H,2-5,8,10H2,1H3,(H,20,23)(H,21,25).
What are the key properties of N-(5-acetamido-2-chlorophenyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide?
N-(5-acetamido-2-chlorophenyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 363.85 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetamido-2-chlorophenyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 55916981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).