3-fluoro-N-[4-(3-hydroxyprop-1-ynyl)-2-methylphenyl]benzamide

C17H14FNO2 — CID 60802449

IUPAC3-fluoro-N-[4-(3-hydroxyprop-1-ynyl)-2-methylphenyl]benzamide
SMILESCc1cc(C#CCO)ccc1NC(=O)c1cccc(F)c1
InChIInChI=1S/C17H14FNO2/c1-12-10-13(4-3-9-20)7-8-16(12)19-17(21)14-5-2-6-15(18)11-14/h2,5-8,10-11,20H,9H2,1H3,(H,19,21)
InChIKeyLPEQWOYFZGQUHU-UHFFFAOYSA-N
MW283.30 g/mol
LogP2.73
Rot. Bonds2

About 3-fluoro-N-[4-(3-hydroxyprop-1-ynyl)-2-methylphenyl]benzamide

3-fluoro-N-[4-(3-hydroxyprop-1-ynyl)-2-methylphenyl]benzamide (PubChem CID 60802449) has the molecular formula C17H14FNO2 and a molecular weight of 283.30 g/mol. Its IUPAC name is 3-fluoro-N-[4-(3-hydroxyprop-1-ynyl)-2-methylphenyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[4-(3-hydroxyprop-1-ynyl)-2-methylphenyl]benzamide
PubChem CID60802449
Molecular FormulaC17H14FNO2
Molecular Weight283.30 g/mol
Exact Mass283.10
IUPAC Name3-fluoro-N-[4-(3-hydroxyprop-1-ynyl)-2-methylphenyl]benzamide
SMILESCc1cc(C#CCO)ccc1NC(=O)c1cccc(F)c1
InChIInChI=1S/C17H14FNO2/c1-12-10-13(4-3-9-20)7-8-16(12)19-17(21)14-5-2-6-15(18)11-14/h2,5-8,10-11,20H,9H2,1H3,(H,19,21)
InChIKeyLPEQWOYFZGQUHU-UHFFFAOYSA-N
XLogP2.73
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 52.73
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

N-(2,4-dimethylphenyl)-3-(3-hydroxyprop-1-ynyl)benzamide
CID 60816968
3-fluoro-N-[4-(3-hydroxyprop-1-ynyl)phenyl]benzamide
CID 60803966
4-chloro-N-[4-(3-hydroxyprop-1-ynyl)-2-methylphenyl]benzamide
CID 60804356
N-(4-chloro-2-methylphenyl)-3-fluorobenzamide
CID 2671206
3-chloro-N-[5-(3-hydroxyprop-1-ynyl)-2-methylphenyl]benzamide
CID 60804718
2-hydroxy-N-[4-(3-hydroxyprop-1-ynyl)-2-methylphenyl]benzamide
CID 60804357
N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-4-methylbenzamide
CID 60804157
N-(4-fluoro-2-methylphenyl)-3-methylbenzamide
CID 2550656
2-fluoro-5-(3-hydroxyprop-1-ynyl)-N-(2-methylphenyl)benzamide
CID 60815663
N-(2,4-dichlorophenyl)-3-(3-hydroxyprop-1-ynyl)benzamide
CID 60817647
3-fluoro-N-(2-hydroxy-4-methylphenyl)benzamide
CID 2112106
3-[(4-fluoro-2-methylphenyl)carbamoyl]benzoic acid
CID 43452888

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[4-(3-hydroxyprop-1-ynyl)-2-methylphenyl]benzamide?
The IUPAC name of 3-fluoro-N-[4-(3-hydroxyprop-1-ynyl)-2-methylphenyl]benzamide (CID 60802449) is 3-fluoro-N-[4-(3-hydroxyprop-1-ynyl)-2-methylphenyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[4-(3-hydroxyprop-1-ynyl)-2-methylphenyl]benzamide?
The canonical SMILES for 3-fluoro-N-[4-(3-hydroxyprop-1-ynyl)-2-methylphenyl]benzamide is Cc1cc(C#CCO)ccc1NC(=O)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[4-(3-hydroxyprop-1-ynyl)-2-methylphenyl]benzamide?
The InChIKey is LPEQWOYFZGQUHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNO2/c1-12-10-13(4-3-9-20)7-8-16(12)19-17(21)14-5-2-6-15(18)11-14/h2,5-8,10-11,20H,9H2,1H3,(H,19,21).
What are the key properties of 3-fluoro-N-[4-(3-hydroxyprop-1-ynyl)-2-methylphenyl]benzamide?
3-fluoro-N-[4-(3-hydroxyprop-1-ynyl)-2-methylphenyl]benzamide has a molecular weight of 283.30 g/mol, XLogP of 2.73, 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)-2-methylphenyl]benzamide is sourced from PubChem (CID 60802449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).