2-fluoro-5-(3-hydroxyprop-1-ynyl)-N-(2-methylphenyl)benzamide

C17H14FNO2 — CID 60815663

IUPAC2-fluoro-5-(3-hydroxyprop-1-ynyl)-N-(2-methylphenyl)benzamide
SMILESCc1ccccc1NC(=O)c1cc(C#CCO)ccc1F
InChIInChI=1S/C17H14FNO2/c1-12-5-2-3-7-16(12)19-17(21)14-11-13(6-4-10-20)8-9-15(14)18/h2-3,5,7-9,11,20H,10H2,1H3,(H,19,21)
InChIKeyJMFOAKZJWMACNK-UHFFFAOYSA-N
MW283.30 g/mol
LogP2.73
Rot. Bonds2

About 2-fluoro-5-(3-hydroxyprop-1-ynyl)-N-(2-methylphenyl)benzamide

2-fluoro-5-(3-hydroxyprop-1-ynyl)-N-(2-methylphenyl)benzamide (PubChem CID 60815663) has the molecular formula C17H14FNO2 and a molecular weight of 283.30 g/mol. Its IUPAC name is 2-fluoro-5-(3-hydroxyprop-1-ynyl)-N-(2-methylphenyl)benzamide.

Molecular Properties

Compound Name2-fluoro-5-(3-hydroxyprop-1-ynyl)-N-(2-methylphenyl)benzamide
PubChem CID60815663
Molecular FormulaC17H14FNO2
Molecular Weight283.30 g/mol
Exact Mass283.10
IUPAC Name2-fluoro-5-(3-hydroxyprop-1-ynyl)-N-(2-methylphenyl)benzamide
SMILESCc1ccccc1NC(=O)c1cc(C#CCO)ccc1F
InChIInChI=1S/C17H14FNO2/c1-12-5-2-3-7-16(12)19-17(21)14-11-13(6-4-10-20)8-9-15(14)18/h2-3,5,7-9,11,20H,10H2,1H3,(H,19,21)
InChIKeyJMFOAKZJWMACNK-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

2-hydroxy-N-[4-(3-hydroxyprop-1-ynyl)-2-methylphenyl]benzamide
CID 60804357
5-(3-aminoprop-1-ynyl)-N-(2-fluorophenyl)-2-methylbenzamide
CID 65310924
2-fluoro-5-(3-hydroxyprop-1-ynyl)-N-(4-methyl-2-pyridinyl)benzamide
CID 60820829
N-[4-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]-2-methylbenzamide
CID 81259426
N-[2-(3-hydroxyprop-1-ynyl)phenyl]-2-methylbenzamide
CID 60800316
4-chloro-N-[4-(3-hydroxyprop-1-ynyl)-2-methylphenyl]benzamide
CID 60804356
3-fluoro-N-[4-(3-hydroxyprop-1-ynyl)-2-methylphenyl]benzamide
CID 60802449
N-(3-chlorophenyl)-5-(3-hydroxyprop-1-ynyl)-2-methylbenzamide
CID 65311034
2-fluoro-5-(3-hydroxyprop-1-ynyl)-N-(3-methoxypropyl)benzamide
CID 60820953
3-chloro-N-[5-(3-hydroxyprop-1-ynyl)-2-methylphenyl]benzamide
CID 60804718
N-[4-fluoro-3-(3-hydroxyprop-1-ynyl)phenyl]-2-methylbenzamide
CID 104780566
N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-4-methylbenzamide
CID 60804157

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-(3-hydroxyprop-1-ynyl)-N-(2-methylphenyl)benzamide?
The IUPAC name of 2-fluoro-5-(3-hydroxyprop-1-ynyl)-N-(2-methylphenyl)benzamide (CID 60815663) is 2-fluoro-5-(3-hydroxyprop-1-ynyl)-N-(2-methylphenyl)benzamide.
What is the SMILES notation for 2-fluoro-5-(3-hydroxyprop-1-ynyl)-N-(2-methylphenyl)benzamide?
The canonical SMILES for 2-fluoro-5-(3-hydroxyprop-1-ynyl)-N-(2-methylphenyl)benzamide is Cc1ccccc1NC(=O)c1cc(C#CCO)ccc1F.
What is the InChIKey of 2-fluoro-5-(3-hydroxyprop-1-ynyl)-N-(2-methylphenyl)benzamide?
The InChIKey is JMFOAKZJWMACNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNO2/c1-12-5-2-3-7-16(12)19-17(21)14-11-13(6-4-10-20)8-9-15(14)18/h2-3,5,7-9,11,20H,10H2,1H3,(H,19,21).
What are the key properties of 2-fluoro-5-(3-hydroxyprop-1-ynyl)-N-(2-methylphenyl)benzamide?
2-fluoro-5-(3-hydroxyprop-1-ynyl)-N-(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 2-fluoro-5-(3-hydroxyprop-1-ynyl)-N-(2-methylphenyl)benzamide is sourced from PubChem (CID 60815663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).