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

C17H14FNO2 — CID 62812600

IUPACN-(4-fluoro-3-methylphenyl)-2-(3-hydroxyprop-1-ynyl)benzamide
SMILESCc1cc(NC(=O)c2ccccc2C#CCO)ccc1F
InChIInChI=1S/C17H14FNO2/c1-12-11-14(8-9-16(12)18)19-17(21)15-7-3-2-5-13(15)6-4-10-20/h2-3,5,7-9,11,20H,10H2,1H3,(H,19,21)
InChIKeyUGELWDIZOSFWAP-UHFFFAOYSA-N
MW283.30 g/mol
LogP2.73
Rot. Bonds2

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

N-(4-fluoro-3-methylphenyl)-2-(3-hydroxyprop-1-ynyl)benzamide (PubChem CID 62812600) has the molecular formula C17H14FNO2 and a molecular weight of 283.30 g/mol. Its IUPAC name is N-(4-fluoro-3-methylphenyl)-2-(3-hydroxyprop-1-ynyl)benzamide.

Molecular Properties

Compound NameN-(4-fluoro-3-methylphenyl)-2-(3-hydroxyprop-1-ynyl)benzamide
PubChem CID62812600
Molecular FormulaC17H14FNO2
Molecular Weight283.30 g/mol
Exact Mass283.10
IUPAC NameN-(4-fluoro-3-methylphenyl)-2-(3-hydroxyprop-1-ynyl)benzamide
SMILESCc1cc(NC(=O)c2ccccc2C#CCO)ccc1F
InChIInChI=1S/C17H14FNO2/c1-12-11-14(8-9-16(12)18)19-17(21)15-7-3-2-5-13(15)6-4-10-20/h2-3,5,7-9,11,20H,10H2,1H3,(H,19,21)
InChIKeyUGELWDIZOSFWAP-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-[4-fluoro-3-(3-hydroxyprop-1-ynyl)phenyl]-2-methylbenzamide
CID 104780566
N-(4-fluoro-3-methylphenyl)-3-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide
CID 107522279
N-[4-(3-hydroxyprop-1-ynyl)-3-methylphenyl]-2-methylbenzamide
CID 60804519
N-(3,5-dichlorophenyl)-2-(3-hydroxyprop-1-ynyl)benzamide
CID 60816523
2-(3-hydroxyprop-1-ynyl)-N-(2-methyl-4-pyridinyl)benzamide
CID 79240557
N-(3-ethylphenyl)-2-(3-hydroxyprop-1-ynyl)benzamide
CID 60816213
2-(3-aminoprop-1-ynyl)-N-(3-chloro-4-fluorophenyl)benzamide
CID 60822368
N-(3-fluoro-4-pyridinyl)-2-(3-hydroxyprop-1-ynyl)benzamide
CID 107595323
N-[4-fluoro-3-(3-hydroxyprop-1-ynyl)phenyl]-1,3-dimethylpyrazole-4-carboxamide
CID 102802094
2-(4-hydroxybut-1-ynyl)-N-(3-methylphenyl)benzamide
CID 60817631
2-(3-hydroxyprop-1-ynyl)-N-(3-methyl-2-pyridinyl)benzamide
CID 60817021
N-[4-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]-2-methylbenzamide
CID 81259426

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-methylphenyl)-2-(3-hydroxyprop-1-ynyl)benzamide?
The IUPAC name of N-(4-fluoro-3-methylphenyl)-2-(3-hydroxyprop-1-ynyl)benzamide (CID 62812600) is N-(4-fluoro-3-methylphenyl)-2-(3-hydroxyprop-1-ynyl)benzamide.
What is the SMILES notation for N-(4-fluoro-3-methylphenyl)-2-(3-hydroxyprop-1-ynyl)benzamide?
The canonical SMILES for N-(4-fluoro-3-methylphenyl)-2-(3-hydroxyprop-1-ynyl)benzamide is Cc1cc(NC(=O)c2ccccc2C#CCO)ccc1F.
What is the InChIKey of N-(4-fluoro-3-methylphenyl)-2-(3-hydroxyprop-1-ynyl)benzamide?
The InChIKey is UGELWDIZOSFWAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNO2/c1-12-11-14(8-9-16(12)18)19-17(21)15-7-3-2-5-13(15)6-4-10-20/h2-3,5,7-9,11,20H,10H2,1H3,(H,19,21).
What are the key properties of N-(4-fluoro-3-methylphenyl)-2-(3-hydroxyprop-1-ynyl)benzamide?
N-(4-fluoro-3-methylphenyl)-2-(3-hydroxyprop-1-ynyl)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 N-(4-fluoro-3-methylphenyl)-2-(3-hydroxyprop-1-ynyl)benzamide is sourced from PubChem (CID 62812600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).