3-fluoro-N-[4-(3-hydroxyprop-1-ynyl)phenyl]benzamide

C16H12FNO2 — CID 60803966

IUPAC3-fluoro-N-[4-(3-hydroxyprop-1-ynyl)phenyl]benzamide
SMILESO=C(Nc1ccc(C#CCO)cc1)c1cccc(F)c1
InChIInChI=1S/C16H12FNO2/c17-14-5-1-4-13(11-14)16(20)18-15-8-6-12(7-9-15)3-2-10-19/h1,4-9,11,19H,10H2,(H,18,20)
InChIKeyDZGWLWWUOZZGBL-UHFFFAOYSA-N
MW269.28 g/mol
LogP2.42
Rot. Bonds2

About 3-fluoro-N-[4-(3-hydroxyprop-1-ynyl)phenyl]benzamide

3-fluoro-N-[4-(3-hydroxyprop-1-ynyl)phenyl]benzamide (PubChem CID 60803966) has the molecular formula C16H12FNO2 and a molecular weight of 269.28 g/mol. Its IUPAC name is 3-fluoro-N-[4-(3-hydroxyprop-1-ynyl)phenyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[4-(3-hydroxyprop-1-ynyl)phenyl]benzamide
PubChem CID60803966
Molecular FormulaC16H12FNO2
Molecular Weight269.28 g/mol
Exact Mass269.09
IUPAC Name3-fluoro-N-[4-(3-hydroxyprop-1-ynyl)phenyl]benzamide
SMILESO=C(Nc1ccc(C#CCO)cc1)c1cccc(F)c1
InChIInChI=1S/C16H12FNO2/c17-14-5-1-4-13(11-14)16(20)18-15-8-6-12(7-9-15)3-2-10-19/h1,4-9,11,19H,10H2,(H,18,20)
InChIKeyDZGWLWWUOZZGBL-UHFFFAOYSA-N
XLogP2.42
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-fluoro-N-[4-(3-hydroxyprop-1-ynyl)-2-methylphenyl]benzamide
CID 60802449
N-(4-cyanophenyl)-3-fluorobenzamide
CID 1122145
3,5-difluoro-N-[3-(3-hydroxyprop-1-ynyl)phenyl]benzamide
CID 60803799
N-(3-fluorophenyl)-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide
CID 62959691
3-fluoro-N-[4-(hydroxycarbamoyl)phenyl]benzamide
CID 90480202
2-[4-[(3-fluorobenzoyl)amino]phenyl]acetic acid
CID 16792926
N-(3-chlorophenyl)-3-(3-hydroxyprop-1-ynyl)benzamide
CID 60816686
3-fluoro-N-(4-propylphenyl)benzamide
CID 26178121
N-(4-fluorophenyl)-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide
CID 79696600
2-[[4-[(3-fluorobenzoyl)amino]benzoyl]amino]acetic acid
CID 45434759
N-[4-(3-hydroxyprop-1-ynyl)phenyl]-4-methoxybenzamide
CID 60803282
3-fluoro-N-[4-(2-methylpropylamino)phenyl]benzamide
CID 112980338

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[4-(3-hydroxyprop-1-ynyl)phenyl]benzamide?
The IUPAC name of 3-fluoro-N-[4-(3-hydroxyprop-1-ynyl)phenyl]benzamide (CID 60803966) is 3-fluoro-N-[4-(3-hydroxyprop-1-ynyl)phenyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[4-(3-hydroxyprop-1-ynyl)phenyl]benzamide?
The canonical SMILES for 3-fluoro-N-[4-(3-hydroxyprop-1-ynyl)phenyl]benzamide is O=C(Nc1ccc(C#CCO)cc1)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[4-(3-hydroxyprop-1-ynyl)phenyl]benzamide?
The InChIKey is DZGWLWWUOZZGBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FNO2/c17-14-5-1-4-13(11-14)16(20)18-15-8-6-12(7-9-15)3-2-10-19/h1,4-9,11,19H,10H2,(H,18,20).
What are the key properties of 3-fluoro-N-[4-(3-hydroxyprop-1-ynyl)phenyl]benzamide?
3-fluoro-N-[4-(3-hydroxyprop-1-ynyl)phenyl]benzamide has a molecular weight of 269.28 g/mol, XLogP of 2.42, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[4-(3-hydroxyprop-1-ynyl)phenyl]benzamide is sourced from PubChem (CID 60803966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).