N-[1-(2-chlorophenyl)-2-methylpropyl]-5-oxopyrrolidine-3-carboxamide

C15H19ClN2O2 — CID 136525993

IUPACN-[1-(2-chlorophenyl)-2-methylpropyl]-5-oxopyrrolidine-3-carboxamide
SMILESCC(C)C(NC(=O)C1CNC(=O)C1)c1ccccc1Cl
InChIInChI=1S/C15H19ClN2O2/c1-9(2)14(11-5-3-4-6-12(11)16)18-15(20)10-7-13(19)17-8-10/h3-6,9-10,14H,7-8H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyUMZUCYZGALXZJH-UHFFFAOYSA-N
MW294.78 g/mol
LogP2.29
Rot. Bonds4

About N-[1-(2-chlorophenyl)-2-methylpropyl]-5-oxopyrrolidine-3-carboxamide

N-[1-(2-chlorophenyl)-2-methylpropyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 136525993) has the molecular formula C15H19ClN2O2 and a molecular weight of 294.78 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)-2-methylpropyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)-2-methylpropyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID136525993
Molecular FormulaC15H19ClN2O2
Molecular Weight294.78 g/mol
Exact Mass294.11
IUPAC NameN-[1-(2-chlorophenyl)-2-methylpropyl]-5-oxopyrrolidine-3-carboxamide
SMILESCC(C)C(NC(=O)C1CNC(=O)C1)c1ccccc1Cl
InChIInChI=1S/C15H19ClN2O2/c1-9(2)14(11-5-3-4-6-12(11)16)18-15(20)10-7-13(19)17-8-10/h3-6,9-10,14H,7-8H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyUMZUCYZGALXZJH-UHFFFAOYSA-N
XLogP2.29
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-fluorophenyl)-2-methylpropyl]-5-oxopyrrolidine-3-carboxamide
CID 78982142
N-(2-ethyl-1-phenylbutyl)-5-oxopyrrolidine-3-carboxamide
CID 78982591
N-(3-methylbutan-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 78981655
N-[1-(3,4-dichlorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 78981822
5-oxo-N-[1-(4-propan-2-ylphenyl)ethyl]pyrrolidine-3-carboxamide
CID 78981922
(2S)-N-[(1R)-1-(2-chlorophenyl)-2-methylpropyl]-1,4-dioxane-2-carboxamide
CID 96550242
N-[1-(2,4-difluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 78982251
N-[1-(2-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxamide
CID 74271464
2-amino-N-[1-(2-chlorophenyl)-2-methylpropyl]acetamide;hydrochloride
CID 119327061
3-methyl-2-[(5-oxopyrrolidine-3-carbonyl)amino]butanoic acid
CID 81455410
N-[1-(2-bromophenyl)ethyl]-6-oxopiperidine-3-carboxamide
CID 73389762
N-[1-(4-chlorophenyl)propyl]-5-oxopyrrolidine-3-carboxamide
CID 78982260

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)-2-methylpropyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[1-(2-chlorophenyl)-2-methylpropyl]-5-oxopyrrolidine-3-carboxamide (CID 136525993) is N-[1-(2-chlorophenyl)-2-methylpropyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[1-(2-chlorophenyl)-2-methylpropyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[1-(2-chlorophenyl)-2-methylpropyl]-5-oxopyrrolidine-3-carboxamide is CC(C)C(NC(=O)C1CNC(=O)C1)c1ccccc1Cl.
What is the InChIKey of N-[1-(2-chlorophenyl)-2-methylpropyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is UMZUCYZGALXZJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O2/c1-9(2)14(11-5-3-4-6-12(11)16)18-15(20)10-7-13(19)17-8-10/h3-6,9-10,14H,7-8H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of N-[1-(2-chlorophenyl)-2-methylpropyl]-5-oxopyrrolidine-3-carboxamide?
N-[1-(2-chlorophenyl)-2-methylpropyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 294.78 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)-2-methylpropyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 136525993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).