2-fluoro-N-[3-(4-fluorophenyl)-3-hydroxypropyl]benzamide

C16H15F2NO2 — CID 110665726

IUPAC2-fluoro-N-[3-(4-fluorophenyl)-3-hydroxypropyl]benzamide
SMILESO=C(NCCC(O)c1ccc(F)cc1)c1ccccc1F
InChIInChI=1S/C16H15F2NO2/c17-12-7-5-11(6-8-12)15(20)9-10-19-16(21)13-3-1-2-4-14(13)18/h1-8,15,20H,9-10H2,(H,19,21)
InChIKeyQCFJPCBVBDGMAX-UHFFFAOYSA-N
MW291.30 g/mol
LogP2.82
Rot. Bonds5

About 2-fluoro-N-[3-(4-fluorophenyl)-3-hydroxypropyl]benzamide

2-fluoro-N-[3-(4-fluorophenyl)-3-hydroxypropyl]benzamide (PubChem CID 110665726) has the molecular formula C16H15F2NO2 and a molecular weight of 291.30 g/mol. Its IUPAC name is 2-fluoro-N-[3-(4-fluorophenyl)-3-hydroxypropyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[3-(4-fluorophenyl)-3-hydroxypropyl]benzamide
PubChem CID110665726
Molecular FormulaC16H15F2NO2
Molecular Weight291.30 g/mol
Exact Mass291.11
IUPAC Name2-fluoro-N-[3-(4-fluorophenyl)-3-hydroxypropyl]benzamide
SMILESO=C(NCCC(O)c1ccc(F)cc1)c1ccccc1F
InChIInChI=1S/C16H15F2NO2/c17-12-7-5-11(6-8-12)15(20)9-10-19-16(21)13-3-1-2-4-14(13)18/h1-8,15,20H,9-10H2,(H,19,21)
InChIKeyQCFJPCBVBDGMAX-UHFFFAOYSA-N
XLogP2.82
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-2-fluoro-N-(3-hydroxy-3-phenylpropyl)benzamide
CID 111471543
N-[3-(4-fluorophenyl)-3-hydroxypropyl]-2,6-dimethoxybenzamide
CID 110665737
4-bromo-N-[3-(4-fluorophenyl)-3-hydroxypropyl]benzamide
CID 110665731
2,4,5-trifluoro-3-hydroxy-N-[(3R)-3-hydroxy-3-phenylpropyl]benzamide
CID 99854560
2-(2-fluorophenyl)-N-(3-hydroxy-3-phenylpropyl)acetamide
CID 111472132
N-[(3S)-3-hydroxy-3-phenylpropyl]naphthalene-1-carboxamide
CID 97038566
2-fluoro-N-(3-hydroxy-3-phenylpropyl)-4-nitrobenzamide
CID 111472014
N-(3-amino-3-phenylpropyl)-2,5-difluorobenzamide
CID 80506852
5-(2-fluorophenyl)-N-[(3R)-3-hydroxy-3-phenylpropyl]-1H-pyrazole-4-carboxamide
CID 97051849
N-[(3R)-3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2-fluorobenzamide
CID 97042845
2,4-difluoro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]benzamide
CID 110888862
N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-2-fluorobenzamide
CID 38524721

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[3-(4-fluorophenyl)-3-hydroxypropyl]benzamide?
The IUPAC name of 2-fluoro-N-[3-(4-fluorophenyl)-3-hydroxypropyl]benzamide (CID 110665726) is 2-fluoro-N-[3-(4-fluorophenyl)-3-hydroxypropyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[3-(4-fluorophenyl)-3-hydroxypropyl]benzamide?
The canonical SMILES for 2-fluoro-N-[3-(4-fluorophenyl)-3-hydroxypropyl]benzamide is O=C(NCCC(O)c1ccc(F)cc1)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[3-(4-fluorophenyl)-3-hydroxypropyl]benzamide?
The InChIKey is QCFJPCBVBDGMAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO2/c17-12-7-5-11(6-8-12)15(20)9-10-19-16(21)13-3-1-2-4-14(13)18/h1-8,15,20H,9-10H2,(H,19,21).
What are the key properties of 2-fluoro-N-[3-(4-fluorophenyl)-3-hydroxypropyl]benzamide?
2-fluoro-N-[3-(4-fluorophenyl)-3-hydroxypropyl]benzamide has a molecular weight of 291.30 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[3-(4-fluorophenyl)-3-hydroxypropyl]benzamide is sourced from PubChem (CID 110665726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).