2-chloro-N-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]acetamide

C12H12ClFN2O2 — CID 7563337

IUPAC2-chloro-N-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]acetamide
SMILESO=C(CCl)N[C@H]1CC(=O)N(c2cccc(F)c2)C1
InChIInChI=1S/C12H12ClFN2O2/c13-6-11(17)15-9-5-12(18)16(7-9)10-3-1-2-8(14)4-10/h1-4,9H,5-7H2,(H,15,17)/t9-/m0/s1
InChIKeyZVPMYIPMPPRTEB-VIFPVBQESA-N
MW270.69 g/mol
LogP1.29
Rot. Bonds3

About 2-chloro-N-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]acetamide

2-chloro-N-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]acetamide (PubChem CID 7563337) has the molecular formula C12H12ClFN2O2 and a molecular weight of 270.69 g/mol. Its IUPAC name is 2-chloro-N-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]acetamide
PubChem CID7563337
Molecular FormulaC12H12ClFN2O2
Molecular Weight270.69 g/mol
Exact Mass270.06
IUPAC Name2-chloro-N-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]acetamide
SMILESO=C(CCl)N[C@H]1CC(=O)N(c2cccc(F)c2)C1
InChIInChI=1S/C12H12ClFN2O2/c13-6-11(17)15-9-5-12(18)16(7-9)10-3-1-2-8(14)4-10/h1-4,9H,5-7H2,(H,15,17)/t9-/m0/s1
InChIKeyZVPMYIPMPPRTEB-VIFPVBQESA-N
XLogP1.29
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.69
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-chloro-N-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]acetamide 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

N-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]propanamide
CID 43971095
N-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-2-phenylacetamide
CID 43971138
1-ethyl-3-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 7546969
N-[2-[[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]ethyl]acetamide
CID 18564403
1-cyclopentyl-3-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 43970168
3-(1,3-dioxoisoindol-2-yl)-N-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]propanamide
CID 7563558
3-(1,3-dioxoisoindol-2-yl)-N-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]propanamide
CID 43971149
2-(2-fluorophenoxy)-N-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]acetamide
CID 16822267
3,4-difluoro-N-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7563424
1-[(2R)-butan-2-yl]-3-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 7546996
N-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]pyrrolidine-1-carboxamide
CID 7546804
N-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-2,2-diphenylacetamide
CID 7255404

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]acetamide?
The IUPAC name of 2-chloro-N-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]acetamide (CID 7563337) is 2-chloro-N-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]acetamide.
What is the SMILES notation for 2-chloro-N-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]acetamide?
The canonical SMILES for 2-chloro-N-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]acetamide is O=C(CCl)N[C@H]1CC(=O)N(c2cccc(F)c2)C1.
What is the InChIKey of 2-chloro-N-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]acetamide?
The InChIKey is ZVPMYIPMPPRTEB-VIFPVBQESA-N. The full InChI is InChI=1S/C12H12ClFN2O2/c13-6-11(17)15-9-5-12(18)16(7-9)10-3-1-2-8(14)4-10/h1-4,9H,5-7H2,(H,15,17)/t9-/m0/s1.
What are the key properties of 2-chloro-N-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]acetamide?
2-chloro-N-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]acetamide has a molecular weight of 270.69 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]acetamide is sourced from PubChem (CID 7563337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).