3-fluoro-N-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzamide

C18H17FN2O2 — CID 7547228

IUPAC3-fluoro-N-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzamide
SMILESCc1ccc(N2C[C@@H](NC(=O)c3cccc(F)c3)CC2=O)cc1
InChIInChI=1S/C18H17FN2O2/c1-12-5-7-16(8-6-12)21-11-15(10-17(21)22)20-18(23)13-3-2-4-14(19)9-13/h2-9,15H,10-11H2,1H3,(H,20,23)/t15-/m0/s1
InChIKeyQQXOWGDLBBQYIG-HNNXBMFYSA-N
MW312.34 g/mol
LogP2.67
Rot. Bonds3

About 3-fluoro-N-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzamide

3-fluoro-N-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzamide (PubChem CID 7547228) has the molecular formula C18H17FN2O2 and a molecular weight of 312.34 g/mol. Its IUPAC name is 3-fluoro-N-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzamide
PubChem CID7547228
Molecular FormulaC18H17FN2O2
Molecular Weight312.34 g/mol
Exact Mass312.13
IUPAC Name3-fluoro-N-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzamide
SMILESCc1ccc(N2C[C@@H](NC(=O)c3cccc(F)c3)CC2=O)cc1
InChIInChI=1S/C18H17FN2O2/c1-12-5-7-16(8-6-12)21-11-15(10-17(21)22)20-18(23)13-3-2-4-14(19)9-13/h2-9,15H,10-11H2,1H3,(H,20,23)/t15-/m0/s1
InChIKeyQQXOWGDLBBQYIG-HNNXBMFYSA-N
XLogP2.67
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-fluorobenzamide
CID 7547727
N-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-fluorobenzamide
CID 43970886
3-chloro-N-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7547239
2,6-difluoro-N-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7547250
4-methyl-N-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7547112
N-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3,4-dimethylbenzamide
CID 43971113
N-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-3-nitrobenzamide
CID 7255032
3-chloro-N-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7563634
N-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-methoxybenzamide
CID 7563379
N-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-methylbenzamide
CID 7547623
3,4-difluoro-N-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7563424
3,4-dimethoxy-N-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 18573314

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzamide?
The IUPAC name of 3-fluoro-N-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzamide (CID 7547228) is 3-fluoro-N-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzamide.
What is the SMILES notation for 3-fluoro-N-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzamide?
The canonical SMILES for 3-fluoro-N-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzamide is Cc1ccc(N2C[C@@H](NC(=O)c3cccc(F)c3)CC2=O)cc1.
What is the InChIKey of 3-fluoro-N-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzamide?
The InChIKey is QQXOWGDLBBQYIG-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H17FN2O2/c1-12-5-7-16(8-6-12)21-11-15(10-17(21)22)20-18(23)13-3-2-4-14(19)9-13/h2-9,15H,10-11H2,1H3,(H,20,23)/t15-/m0/s1.
What are the key properties of 3-fluoro-N-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzamide?
3-fluoro-N-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzamide has a molecular weight of 312.34 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzamide is sourced from PubChem (CID 7547228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).