1-[4-(4-acetyl-6-chloro-3-pyridinyl)-3-fluorophenyl]pyrrolidin-2-one

C17H14ClFN2O2 — CID 142612200

IUPAC1-[4-(4-acetyl-6-chloro-3-pyridinyl)-3-fluorophenyl]pyrrolidin-2-one
SMILESCC(=O)c1cc(Cl)ncc1-c1ccc(N2CCCC2=O)cc1F
InChIInChI=1S/C17H14ClFN2O2/c1-10(22)13-8-16(18)20-9-14(13)12-5-4-11(7-15(12)19)21-6-2-3-17(21)23/h4-5,7-9H,2-3,6H2,1H3
InChIKeyFBISPLIIQDPERU-UHFFFAOYSA-N
MW332.76 g/mol
LogP3.87
Rot. Bonds3

About 1-[4-(4-acetyl-6-chloro-3-pyridinyl)-3-fluorophenyl]pyrrolidin-2-one

1-[4-(4-acetyl-6-chloro-3-pyridinyl)-3-fluorophenyl]pyrrolidin-2-one (PubChem CID 142612200) has the molecular formula C17H14ClFN2O2 and a molecular weight of 332.76 g/mol. Its IUPAC name is 1-[4-(4-acetyl-6-chloro-3-pyridinyl)-3-fluorophenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-(4-acetyl-6-chloro-3-pyridinyl)-3-fluorophenyl]pyrrolidin-2-one
PubChem CID142612200
Molecular FormulaC17H14ClFN2O2
Molecular Weight332.76 g/mol
Exact Mass332.07
IUPAC Name1-[4-(4-acetyl-6-chloro-3-pyridinyl)-3-fluorophenyl]pyrrolidin-2-one
SMILESCC(=O)c1cc(Cl)ncc1-c1ccc(N2CCCC2=O)cc1F
InChIInChI=1S/C17H14ClFN2O2/c1-10(22)13-8-16(18)20-9-14(13)12-5-4-11(7-15(12)19)21-6-2-3-17(21)23/h4-5,7-9H,2-3,6H2,1H3
InChIKeyFBISPLIIQDPERU-UHFFFAOYSA-N
XLogP3.87
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.76
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-acetyl-6-chloro-3-[chloro-[4-(2-oxopyrrolidin-1-yl)phenyl]methylidene]indol-2-one
CID 69064785
1-(2-methyl-4-pyridinyl)pyrrolidin-2-one
CID 70517179
2-fluoro-4-(2-oxopyrrolidin-1-yl)benzonitrile
CID 53417042
1-[3-[(2S,4R)-4-amino-2-methylpiperidine-1-carbonyl]-4-fluorophenyl]pyrrolidin-2-one
CID 124694483
2-fluoro-N-(3-hydroxy-4-methylpentyl)-5-(2-oxopyrrolidin-1-yl)benzamide
CID 111460652
1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
CID 822790
2-hydroxy-4-(2-oxopyrrolidin-1-yl)benzoic acid
CID 5210283
2-chloro-N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]pyridine-4-carboxamide
CID 55675758
1-(3-fluoro-4-methoxyphenyl)piperidin-2-one
CID 142754617
1-[4-[[(5-acetyl-4-methylpyrimidin-2-yl)amino]methyl]phenyl]pyrrolidin-2-one
CID 137344435
5-chloro-2-(2-oxopyrrolidin-1-yl)benzoic acid
CID 16772914
1-[2-(trifluoromethyl)-4-pyridinyl]pyrrolidin-2-one
CID 166609012

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-acetyl-6-chloro-3-pyridinyl)-3-fluorophenyl]pyrrolidin-2-one?
The IUPAC name of 1-[4-(4-acetyl-6-chloro-3-pyridinyl)-3-fluorophenyl]pyrrolidin-2-one (CID 142612200) is 1-[4-(4-acetyl-6-chloro-3-pyridinyl)-3-fluorophenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-(4-acetyl-6-chloro-3-pyridinyl)-3-fluorophenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-(4-acetyl-6-chloro-3-pyridinyl)-3-fluorophenyl]pyrrolidin-2-one is CC(=O)c1cc(Cl)ncc1-c1ccc(N2CCCC2=O)cc1F.
What is the InChIKey of 1-[4-(4-acetyl-6-chloro-3-pyridinyl)-3-fluorophenyl]pyrrolidin-2-one?
The InChIKey is FBISPLIIQDPERU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClFN2O2/c1-10(22)13-8-16(18)20-9-14(13)12-5-4-11(7-15(12)19)21-6-2-3-17(21)23/h4-5,7-9H,2-3,6H2,1H3.
What are the key properties of 1-[4-(4-acetyl-6-chloro-3-pyridinyl)-3-fluorophenyl]pyrrolidin-2-one?
1-[4-(4-acetyl-6-chloro-3-pyridinyl)-3-fluorophenyl]pyrrolidin-2-one has a molecular weight of 332.76 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-acetyl-6-chloro-3-pyridinyl)-3-fluorophenyl]pyrrolidin-2-one is sourced from PubChem (CID 142612200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).