2-chloro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-2-phenylacetamide

C15H19ClN2O2 — CID 61251452

IUPAC2-chloro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-2-phenylacetamide
SMILESO=C(NCCC(=O)N1CCCC1)C(Cl)c1ccccc1
InChIInChI=1S/C15H19ClN2O2/c16-14(12-6-2-1-3-7-12)15(20)17-9-8-13(19)18-10-4-5-11-18/h1-3,6-7,14H,4-5,8-11H2,(H,17,20)
InChIKeyJCMUZIYDNMXESB-UHFFFAOYSA-N
MW294.78 g/mol
LogP2.10
Rot. Bonds5

About 2-chloro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-2-phenylacetamide

2-chloro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-2-phenylacetamide (PubChem CID 61251452) has the molecular formula C15H19ClN2O2 and a molecular weight of 294.78 g/mol. Its IUPAC name is 2-chloro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-2-phenylacetamide.

Molecular Properties

Compound Name2-chloro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-2-phenylacetamide
PubChem CID61251452
Molecular FormulaC15H19ClN2O2
Molecular Weight294.78 g/mol
Exact Mass294.11
IUPAC Name2-chloro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-2-phenylacetamide
SMILESO=C(NCCC(=O)N1CCCC1)C(Cl)c1ccccc1
InChIInChI=1S/C15H19ClN2O2/c16-14(12-6-2-1-3-7-12)15(20)17-9-8-13(19)18-10-4-5-11-18/h1-3,6-7,14H,4-5,8-11H2,(H,17,20)
InChIKeyJCMUZIYDNMXESB-UHFFFAOYSA-N
XLogP2.10
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 52.10
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

1-[3-(azepan-1-yl)-3-oxopropyl]-3-[(1R)-1-phenylethyl]urea
CID 52810285
2-chloro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide
CID 61251378
(2S)-N-(3-oxo-3-piperidin-1-ylpropyl)-2-phenyl-2-pyrazol-1-ylacetamide
CID 95280062
3-[(2-methyl-1-phenylpropyl)amino]-1-piperidin-1-ylpropan-1-one
CID 78860650
N-(3-oxo-3-piperidin-1-ylpropyl)benzamide
CID 17154515
2-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide
CID 8868826
3-[(2-methoxy-1-phenylethyl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 103463484
2-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]-2-phenylacetamide
CID 61251743
4-benzoyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide
CID 18157014
1-(4-acetylpiperazin-1-yl)-3-(1-phenylethylamino)propan-1-one
CID 109018108
3-[[cyclopropyl(phenyl)methyl]amino]-1-piperidin-1-ylpropan-1-one
CID 115753017
2-chloro-N-[2-(4-methylpiperidin-1-yl)ethyl]-2-phenylacetamide
CID 61241452

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-2-phenylacetamide?
The IUPAC name of 2-chloro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-2-phenylacetamide (CID 61251452) is 2-chloro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-2-phenylacetamide.
What is the SMILES notation for 2-chloro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-2-phenylacetamide?
The canonical SMILES for 2-chloro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-2-phenylacetamide is O=C(NCCC(=O)N1CCCC1)C(Cl)c1ccccc1.
What is the InChIKey of 2-chloro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-2-phenylacetamide?
The InChIKey is JCMUZIYDNMXESB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O2/c16-14(12-6-2-1-3-7-12)15(20)17-9-8-13(19)18-10-4-5-11-18/h1-3,6-7,14H,4-5,8-11H2,(H,17,20).
What are the key properties of 2-chloro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-2-phenylacetamide?
2-chloro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-2-phenylacetamide has a molecular weight of 294.78 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-2-phenylacetamide is sourced from PubChem (CID 61251452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).