2-chloro-N-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzamide

C17H14ClFN2O2 — CID 7563633

IUPAC2-chloro-N-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzamide
SMILESO=C(N[C@H]1CC(=O)N(c2ccc(F)cc2)C1)c1ccccc1Cl
InChIInChI=1S/C17H14ClFN2O2/c18-15-4-2-1-3-14(15)17(23)20-12-9-16(22)21(10-12)13-7-5-11(19)6-8-13/h1-8,12H,9-10H2,(H,20,23)/t12-/m0/s1
InChIKeyHGQUIFKEADDYGV-LBPRGKRZSA-N
MW332.76 g/mol
LogP3.01
Rot. Bonds3

About 2-chloro-N-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzamide

2-chloro-N-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzamide (PubChem CID 7563633) has the molecular formula C17H14ClFN2O2 and a molecular weight of 332.76 g/mol. Its IUPAC name is 2-chloro-N-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzamide
PubChem CID7563633
Molecular FormulaC17H14ClFN2O2
Molecular Weight332.76 g/mol
Exact Mass332.07
IUPAC Name2-chloro-N-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzamide
SMILESO=C(N[C@H]1CC(=O)N(c2ccc(F)cc2)C1)c1ccccc1Cl
InChIInChI=1S/C17H14ClFN2O2/c18-15-4-2-1-3-14(15)17(23)20-12-9-16(22)21(10-12)13-7-5-11(19)6-8-13/h1-8,12H,9-10H2,(H,20,23)/t12-/m0/s1
InChIKeyHGQUIFKEADDYGV-LBPRGKRZSA-N
XLogP3.01
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.76
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 16822276
2-fluoro-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]benzamide
CID 7546766
2-fluoro-N-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]benzamide
CID 7546765
2,6-difluoro-N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 43971184
3-chloro-N-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7563634
1-[(2-chlorophenyl)methyl]-3-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 16819874
N-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-4-phenylbenzamide
CID 7563663
N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]naphthalene-2-carboxamide
CID 18573384
N-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]naphthalene-2-carboxamide
CID 7255471
[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 7548387
N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]-2-(trifluoromethyl)benzamide
CID 7546827
3,4-difluoro-N-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7563649

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzamide?
The IUPAC name of 2-chloro-N-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzamide (CID 7563633) is 2-chloro-N-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzamide?
The canonical SMILES for 2-chloro-N-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzamide is O=C(N[C@H]1CC(=O)N(c2ccc(F)cc2)C1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzamide?
The InChIKey is HGQUIFKEADDYGV-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H14ClFN2O2/c18-15-4-2-1-3-14(15)17(23)20-12-9-16(22)21(10-12)13-7-5-11(19)6-8-13/h1-8,12H,9-10H2,(H,20,23)/t12-/m0/s1.
What are the key properties of 2-chloro-N-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzamide?
2-chloro-N-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzamide has a molecular weight of 332.76 g/mol, XLogP of 3.01, 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-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzamide is sourced from PubChem (CID 7563633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).