N-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-methoxybenzamide

C18H17FN2O3 — CID 7563379

IUPACN-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)N[C@H]2CC(=O)N(c3cccc(F)c3)C2)c1
InChIInChI=1S/C18H17FN2O3/c1-24-16-7-2-4-12(8-16)18(23)20-14-10-17(22)21(11-14)15-6-3-5-13(19)9-15/h2-9,14H,10-11H2,1H3,(H,20,23)/t14-/m0/s1
InChIKeyKMWMWBCLNDASHF-AWEZNQCLSA-N
MW328.34 g/mol
LogP2.37
Rot. Bonds4

About N-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-methoxybenzamide

N-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-methoxybenzamide (PubChem CID 7563379) has the molecular formula C18H17FN2O3 and a molecular weight of 328.34 g/mol. Its IUPAC name is N-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-methoxybenzamide
PubChem CID7563379
Molecular FormulaC18H17FN2O3
Molecular Weight328.34 g/mol
Exact Mass328.12
IUPAC NameN-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)N[C@H]2CC(=O)N(c3cccc(F)c3)C2)c1
InChIInChI=1S/C18H17FN2O3/c1-24-16-7-2-4-12(8-16)18(23)20-14-10-17(22)21(11-14)15-6-3-5-13(19)9-15/h2-9,14H,10-11H2,1H3,(H,20,23)/t14-/m0/s1
InChIKeyKMWMWBCLNDASHF-AWEZNQCLSA-N
XLogP2.37
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.34
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-difluoro-N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7548178
3-chloro-N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7548145
4-methoxy-N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7548080
N-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3,4-dimethylbenzamide
CID 43971113
4-chloro-N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 16822178
N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-nitrobenzamide
CID 7548189
3,4-difluoro-N-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7563424
1-(3-fluorophenyl)-3-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7544332
3,4,5-trimethoxy-N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 43970933
3,4,5-trimethoxy-N-[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7548122
N-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-fluorobenzamide
CID 43970886
N-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-fluorobenzamide
CID 7547727

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-methoxybenzamide?
The IUPAC name of N-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-methoxybenzamide (CID 7563379) is N-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-methoxybenzamide.
What is the SMILES notation for N-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-methoxybenzamide?
The canonical SMILES for N-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-methoxybenzamide is COc1cccc(C(=O)N[C@H]2CC(=O)N(c3cccc(F)c3)C2)c1.
What is the InChIKey of N-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-methoxybenzamide?
The InChIKey is KMWMWBCLNDASHF-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H17FN2O3/c1-24-16-7-2-4-12(8-16)18(23)20-14-10-17(22)21(11-14)15-6-3-5-13(19)9-15/h2-9,14H,10-11H2,1H3,(H,20,23)/t14-/m0/s1.
What are the key properties of N-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-methoxybenzamide?
N-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-methoxybenzamide has a molecular weight of 328.34 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-methoxybenzamide is sourced from PubChem (CID 7563379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).