4-fluoro-3-(4-fluorophenyl)-N-(1-oxopropan-2-yl)benzamide

C16H13F2NO2 — CID 167446103

IUPAC4-fluoro-3-(4-fluorophenyl)-N-(1-oxopropan-2-yl)benzamide
SMILESCC(C=O)NC(=O)c1ccc(F)c(-c2ccc(F)cc2)c1
InChIInChI=1S/C16H13F2NO2/c1-10(9-20)19-16(21)12-4-7-15(18)14(8-12)11-2-5-13(17)6-3-11/h2-10H,1H3,(H,19,21)
InChIKeyCKAVCRKOHADBFM-UHFFFAOYSA-N
MW289.28 g/mol
LogP2.95
Rot. Bonds4

About 4-fluoro-3-(4-fluorophenyl)-N-(1-oxopropan-2-yl)benzamide

4-fluoro-3-(4-fluorophenyl)-N-(1-oxopropan-2-yl)benzamide (PubChem CID 167446103) has the molecular formula C16H13F2NO2 and a molecular weight of 289.28 g/mol. Its IUPAC name is 4-fluoro-3-(4-fluorophenyl)-N-(1-oxopropan-2-yl)benzamide.

Molecular Properties

Compound Name4-fluoro-3-(4-fluorophenyl)-N-(1-oxopropan-2-yl)benzamide
PubChem CID167446103
Molecular FormulaC16H13F2NO2
Molecular Weight289.28 g/mol
Exact Mass289.09
IUPAC Name4-fluoro-3-(4-fluorophenyl)-N-(1-oxopropan-2-yl)benzamide
SMILESCC(C=O)NC(=O)c1ccc(F)c(-c2ccc(F)cc2)c1
InChIInChI=1S/C16H13F2NO2/c1-10(9-20)19-16(21)12-4-7-15(18)14(8-12)11-2-5-13(17)6-3-11/h2-10H,1H3,(H,19,21)
InChIKeyCKAVCRKOHADBFM-UHFFFAOYSA-N
XLogP2.95
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.28
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-(1-oxopropan-2-yl)benzamide
CID 54017206
4-fluoro-3-(4-fluorophenyl)benzamide
CID 46312266
N-[1-(2,5-difluorophenyl)ethyl]-4-fluorobenzamide
CID 60737307
(2S)-2-[(3,4-difluorobenzoyl)amino]propanoic acid
CID 42254634
3-fluoro-N-[(1S)-1-(4-fluorophenyl)ethyl]-4-pyridin-4-ylbenzamide
CID 68515087
3-bromo-4-fluoro-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 103706387
4-fluoro-N-(4-oxobutan-2-yl)benzamide
CID 58870084
4-chloro-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 4780866
1-[4-chloro-3-(4-fluorophenyl)phenyl]ethanone
CID 82541260
3,4-difluoro-N-(3-oxobutan-2-yl)benzamide
CID 64996859
N-[(1S)-1-(3-chlorophenyl)ethyl]-4-fluorobenzamide
CID 7944591
3,4-difluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide
CID 103920331

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-(4-fluorophenyl)-N-(1-oxopropan-2-yl)benzamide?
The IUPAC name of 4-fluoro-3-(4-fluorophenyl)-N-(1-oxopropan-2-yl)benzamide (CID 167446103) is 4-fluoro-3-(4-fluorophenyl)-N-(1-oxopropan-2-yl)benzamide.
What is the SMILES notation for 4-fluoro-3-(4-fluorophenyl)-N-(1-oxopropan-2-yl)benzamide?
The canonical SMILES for 4-fluoro-3-(4-fluorophenyl)-N-(1-oxopropan-2-yl)benzamide is CC(C=O)NC(=O)c1ccc(F)c(-c2ccc(F)cc2)c1.
What is the InChIKey of 4-fluoro-3-(4-fluorophenyl)-N-(1-oxopropan-2-yl)benzamide?
The InChIKey is CKAVCRKOHADBFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2NO2/c1-10(9-20)19-16(21)12-4-7-15(18)14(8-12)11-2-5-13(17)6-3-11/h2-10H,1H3,(H,19,21).
What are the key properties of 4-fluoro-3-(4-fluorophenyl)-N-(1-oxopropan-2-yl)benzamide?
4-fluoro-3-(4-fluorophenyl)-N-(1-oxopropan-2-yl)benzamide has a molecular weight of 289.28 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-(4-fluorophenyl)-N-(1-oxopropan-2-yl)benzamide is sourced from PubChem (CID 167446103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).