2,3,4-trifluoro-N-(5-oxo-1-phenylpyrrolidin-3-yl)benzamide

C17H13F3N2O2 — CID 110736815

IUPAC2,3,4-trifluoro-N-(5-oxo-1-phenylpyrrolidin-3-yl)benzamide
SMILESO=C(NC1CC(=O)N(c2ccccc2)C1)c1ccc(F)c(F)c1F
InChIInChI=1S/C17H13F3N2O2/c18-13-7-6-12(15(19)16(13)20)17(24)21-10-8-14(23)22(9-10)11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H,21,24)
InChIKeyLYIOIHJZPBDVJD-UHFFFAOYSA-N
MW334.30 g/mol
LogP2.64
Rot. Bonds3

About 2,3,4-trifluoro-N-(5-oxo-1-phenylpyrrolidin-3-yl)benzamide

2,3,4-trifluoro-N-(5-oxo-1-phenylpyrrolidin-3-yl)benzamide (PubChem CID 110736815) has the molecular formula C17H13F3N2O2 and a molecular weight of 334.30 g/mol. Its IUPAC name is 2,3,4-trifluoro-N-(5-oxo-1-phenylpyrrolidin-3-yl)benzamide.

Molecular Properties

Compound Name2,3,4-trifluoro-N-(5-oxo-1-phenylpyrrolidin-3-yl)benzamide
PubChem CID110736815
Molecular FormulaC17H13F3N2O2
Molecular Weight334.30 g/mol
Exact Mass334.09
IUPAC Name2,3,4-trifluoro-N-(5-oxo-1-phenylpyrrolidin-3-yl)benzamide
SMILESO=C(NC1CC(=O)N(c2ccccc2)C1)c1ccc(F)c(F)c1F
InChIInChI=1S/C17H13F3N2O2/c18-13-7-6-12(15(19)16(13)20)17(24)21-10-8-14(23)22(9-10)11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H,21,24)
InChIKeyLYIOIHJZPBDVJD-UHFFFAOYSA-N
XLogP2.64
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.30
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

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
N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]-2-(trifluoromethyl)benzamide
CID 7546827
N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-2,3,4-trifluorobenzamide
CID 110736909
2-chloro-N-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7563633
2-nitro-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]benzamide
CID 7254959
3-chloro-N-(5-oxo-1-phenylpyrrolidin-3-yl)benzamide
CID 16822090
2-(4-fluorophenyl)-N-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]acetamide
CID 7254979
2,6-difluoro-N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 43971184
N-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]thiophene-2-carboxamide
CID 7255002
1,1-dimethyl-3-(5-oxo-1-phenylpyrrolidin-3-yl)urea
CID 18564044
N-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-4-phenylbenzamide
CID 7563663

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trifluoro-N-(5-oxo-1-phenylpyrrolidin-3-yl)benzamide?
The IUPAC name of 2,3,4-trifluoro-N-(5-oxo-1-phenylpyrrolidin-3-yl)benzamide (CID 110736815) is 2,3,4-trifluoro-N-(5-oxo-1-phenylpyrrolidin-3-yl)benzamide.
What is the SMILES notation for 2,3,4-trifluoro-N-(5-oxo-1-phenylpyrrolidin-3-yl)benzamide?
The canonical SMILES for 2,3,4-trifluoro-N-(5-oxo-1-phenylpyrrolidin-3-yl)benzamide is O=C(NC1CC(=O)N(c2ccccc2)C1)c1ccc(F)c(F)c1F.
What is the InChIKey of 2,3,4-trifluoro-N-(5-oxo-1-phenylpyrrolidin-3-yl)benzamide?
The InChIKey is LYIOIHJZPBDVJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2O2/c18-13-7-6-12(15(19)16(13)20)17(24)21-10-8-14(23)22(9-10)11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H,21,24).
What are the key properties of 2,3,4-trifluoro-N-(5-oxo-1-phenylpyrrolidin-3-yl)benzamide?
2,3,4-trifluoro-N-(5-oxo-1-phenylpyrrolidin-3-yl)benzamide has a molecular weight of 334.30 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trifluoro-N-(5-oxo-1-phenylpyrrolidin-3-yl)benzamide is sourced from PubChem (CID 110736815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).