3,5-difluoro-N-[3-(3-hydroxyprop-1-ynyl)phenyl]benzamide

C16H11F2NO2 — CID 60803799

IUPAC3,5-difluoro-N-[3-(3-hydroxyprop-1-ynyl)phenyl]benzamide
SMILESO=C(Nc1cccc(C#CCO)c1)c1cc(F)cc(F)c1
InChIInChI=1S/C16H11F2NO2/c17-13-8-12(9-14(18)10-13)16(21)19-15-5-1-3-11(7-15)4-2-6-20/h1,3,5,7-10,20H,6H2,(H,19,21)
InChIKeyQXLUTYXSFWNNLZ-UHFFFAOYSA-N
MW287.27 g/mol
LogP2.56
Rot. Bonds2

About 3,5-difluoro-N-[3-(3-hydroxyprop-1-ynyl)phenyl]benzamide

3,5-difluoro-N-[3-(3-hydroxyprop-1-ynyl)phenyl]benzamide (PubChem CID 60803799) has the molecular formula C16H11F2NO2 and a molecular weight of 287.27 g/mol. Its IUPAC name is 3,5-difluoro-N-[3-(3-hydroxyprop-1-ynyl)phenyl]benzamide.

Molecular Properties

Compound Name3,5-difluoro-N-[3-(3-hydroxyprop-1-ynyl)phenyl]benzamide
PubChem CID60803799
Molecular FormulaC16H11F2NO2
Molecular Weight287.27 g/mol
Exact Mass287.08
IUPAC Name3,5-difluoro-N-[3-(3-hydroxyprop-1-ynyl)phenyl]benzamide
SMILESO=C(Nc1cccc(C#CCO)c1)c1cc(F)cc(F)c1
InChIInChI=1S/C16H11F2NO2/c17-13-8-12(9-14(18)10-13)16(21)19-15-5-1-3-11(7-15)4-2-6-20/h1,3,5,7-10,20H,6H2,(H,19,21)
InChIKeyQXLUTYXSFWNNLZ-UHFFFAOYSA-N
XLogP2.56
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.27
LogP ≤ 52.56
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

4-chloro-N-[3-(3-hydroxyprop-1-ynyl)phenyl]benzamide
CID 60803971
N-(3-chlorophenyl)-3-(3-hydroxyprop-1-ynyl)benzamide
CID 60816686
3-fluoro-N-[4-(3-hydroxyprop-1-ynyl)phenyl]benzamide
CID 60803966
3-(3-hydroxyprop-1-ynyl)-N-(3-methoxyphenyl)benzamide
CID 60815302
3-chloro-N-[3-(4-hydroxybut-1-ynyl)phenyl]benzamide
CID 60804759
N-[3-(3-hydroxyprop-1-ynyl)phenyl]-2-phenylacetamide
CID 60803624
1-[3-(3-hydroxyprop-1-ynyl)phenyl]-3-(3-methylphenyl)urea
CID 60804851
N-(3-bromophenyl)-3,5-difluorobenzamide
CID 3660841
N-[3-(3-hydroxyprop-1-ynyl)phenyl]pyrazine-2-carboxamide
CID 62200673
N-[3-(3-hydroxyprop-1-ynyl)phenyl]-2,6-dimethylpyridine-3-carboxamide
CID 62830959
N-[3-(3-hydroxyprop-1-ynyl)phenyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 60805045
N-(3-fluorophenyl)-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide
CID 62959691

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-[3-(3-hydroxyprop-1-ynyl)phenyl]benzamide?
The IUPAC name of 3,5-difluoro-N-[3-(3-hydroxyprop-1-ynyl)phenyl]benzamide (CID 60803799) is 3,5-difluoro-N-[3-(3-hydroxyprop-1-ynyl)phenyl]benzamide.
What is the SMILES notation for 3,5-difluoro-N-[3-(3-hydroxyprop-1-ynyl)phenyl]benzamide?
The canonical SMILES for 3,5-difluoro-N-[3-(3-hydroxyprop-1-ynyl)phenyl]benzamide is O=C(Nc1cccc(C#CCO)c1)c1cc(F)cc(F)c1.
What is the InChIKey of 3,5-difluoro-N-[3-(3-hydroxyprop-1-ynyl)phenyl]benzamide?
The InChIKey is QXLUTYXSFWNNLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F2NO2/c17-13-8-12(9-14(18)10-13)16(21)19-15-5-1-3-11(7-15)4-2-6-20/h1,3,5,7-10,20H,6H2,(H,19,21).
What are the key properties of 3,5-difluoro-N-[3-(3-hydroxyprop-1-ynyl)phenyl]benzamide?
3,5-difluoro-N-[3-(3-hydroxyprop-1-ynyl)phenyl]benzamide has a molecular weight of 287.27 g/mol, XLogP of 2.56, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-[3-(3-hydroxyprop-1-ynyl)phenyl]benzamide is sourced from PubChem (CID 60803799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).