2-chloro-N-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)propanamide

C14H17ClN2O2 — CID 146085997

IUPAC2-chloro-N-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)propanamide
SMILESCC(Cl)C(=O)NC1CC(C)N(c2ccccc2)C1=O
InChIInChI=1S/C14H17ClN2O2/c1-9-8-12(16-13(18)10(2)15)14(19)17(9)11-6-4-3-5-7-11/h3-7,9-10,12H,8H2,1-2H3,(H,16,18)
InChIKeyDEOBTTJJJFEDPT-UHFFFAOYSA-N
MW280.76 g/mol
LogP1.92
Rot. Bonds3

About 2-chloro-N-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)propanamide

2-chloro-N-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)propanamide (PubChem CID 146085997) has the molecular formula C14H17ClN2O2 and a molecular weight of 280.76 g/mol. Its IUPAC name is 2-chloro-N-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)propanamide.

Molecular Properties

Compound Name2-chloro-N-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)propanamide
PubChem CID146085997
Molecular FormulaC14H17ClN2O2
Molecular Weight280.76 g/mol
Exact Mass280.10
IUPAC Name2-chloro-N-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)propanamide
SMILESCC(Cl)C(=O)NC1CC(C)N(c2ccccc2)C1=O
InChIInChI=1S/C14H17ClN2O2/c1-9-8-12(16-13(18)10(2)15)14(19)17(9)11-6-4-3-5-7-11/h3-7,9-10,12H,8H2,1-2H3,(H,16,18)
InChIKeyDEOBTTJJJFEDPT-UHFFFAOYSA-N
XLogP1.92
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.76
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-amino-N-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)propanamide
CID 119336526
2-amino-N-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)-2-(4-methylphenyl)acetamide;hydrochloride
CID 120668914
cis-(1S,3R)-2,2-dimethyl-3-[(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 122065674
2-amino-N-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)-2-(oxan-4-yl)acetamide
CID 120795162
3-methyl-N-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)but-2-enamide
CID 71998925
3-amino-N-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)propanamide;hydrochloride
CID 119336507
1-[(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122004000
1-amino-N-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)cyclopentane-1-carboxamide
CID 119336522
1-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-3-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)urea
CID 127871854
3-amino-N-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)cyclohexane-1-carboxamide
CID 119806294
N-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)piperidine-4-carboxamide;hydrochloride
CID 119336511
(2R,4R)-4-hydroxy-N-[(3S,5R)-5-methyl-2-oxo-1-phenylpyrrolidin-3-yl]pyrrolidine-2-carboxamide
CID 125152093

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)propanamide?
The IUPAC name of 2-chloro-N-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)propanamide (CID 146085997) is 2-chloro-N-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)propanamide.
What is the SMILES notation for 2-chloro-N-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)propanamide?
The canonical SMILES for 2-chloro-N-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)propanamide is CC(Cl)C(=O)NC1CC(C)N(c2ccccc2)C1=O.
What is the InChIKey of 2-chloro-N-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)propanamide?
The InChIKey is DEOBTTJJJFEDPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O2/c1-9-8-12(16-13(18)10(2)15)14(19)17(9)11-6-4-3-5-7-11/h3-7,9-10,12H,8H2,1-2H3,(H,16,18).
What are the key properties of 2-chloro-N-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)propanamide?
2-chloro-N-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)propanamide has a molecular weight of 280.76 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)propanamide is sourced from PubChem (CID 146085997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).