5-fluoro-N-[(2-hydroxyphenyl)methyl]-2-methylbenzamide

C15H14FNO2 — CID 115598801

IUPAC5-fluoro-N-[(2-hydroxyphenyl)methyl]-2-methylbenzamide
SMILESCc1ccc(F)cc1C(=O)NCc1ccccc1O
InChIInChI=1S/C15H14FNO2/c1-10-6-7-12(16)8-13(10)15(19)17-9-11-4-2-3-5-14(11)18/h2-8,18H,9H2,1H3,(H,17,19)
InChIKeyPEUOOXDHWFUSDZ-UHFFFAOYSA-N
MW259.28 g/mol
LogP2.77
Rot. Bonds3

About 5-fluoro-N-[(2-hydroxyphenyl)methyl]-2-methylbenzamide

5-fluoro-N-[(2-hydroxyphenyl)methyl]-2-methylbenzamide (PubChem CID 115598801) has the molecular formula C15H14FNO2 and a molecular weight of 259.28 g/mol. Its IUPAC name is 5-fluoro-N-[(2-hydroxyphenyl)methyl]-2-methylbenzamide.

Molecular Properties

Compound Name5-fluoro-N-[(2-hydroxyphenyl)methyl]-2-methylbenzamide
PubChem CID115598801
Molecular FormulaC15H14FNO2
Molecular Weight259.28 g/mol
Exact Mass259.10
IUPAC Name5-fluoro-N-[(2-hydroxyphenyl)methyl]-2-methylbenzamide
SMILESCc1ccc(F)cc1C(=O)NCc1ccccc1O
InChIInChI=1S/C15H14FNO2/c1-10-6-7-12(16)8-13(10)15(19)17-9-11-4-2-3-5-14(11)18/h2-8,18H,9H2,1H3,(H,17,19)
InChIKeyPEUOOXDHWFUSDZ-UHFFFAOYSA-N
XLogP2.77
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

N-[(2-bromophenyl)methyl]-5-fluoro-2-methylbenzamide
CID 55025566
N-[(2-hydroxyphenyl)methyl]-2,5-dimethylbenzamide
CID 115598856
2,5-difluoro-N-[(2-methylphenyl)methyl]benzamide
CID 30500868
N-[(2-ethylphenyl)methyl]-5-fluoro-2-hydroxybenzamide
CID 115299129
5-fluoro-N-[(2-hydroxyphenyl)methyl]-2-nitrobenzamide
CID 115735454
N-[[2-(aminomethyl)phenyl]methyl]-5-fluoro-2-hydroxybenzamide
CID 115299371
N-[(2-fluorophenyl)methyl]-2-methyl-5-sulfanylbenzamide
CID 107021173
N-[[4-(chloromethyl)phenyl]methyl]-5-fluoro-2-methylbenzamide
CID 107233293
5-fluoro-2-hydroxy-N-[(4-methylthiophen-3-yl)methyl]benzamide
CID 115299175
5-fluoro-2-methoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 31069159
N-[(5-amino-1-methylpyrazol-4-yl)methyl]-5-fluoro-2-methylbenzamide
CID 79524292
5-fluoro-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]-2-methylbenzamide
CID 57430092

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[(2-hydroxyphenyl)methyl]-2-methylbenzamide?
The IUPAC name of 5-fluoro-N-[(2-hydroxyphenyl)methyl]-2-methylbenzamide (CID 115598801) is 5-fluoro-N-[(2-hydroxyphenyl)methyl]-2-methylbenzamide.
What is the SMILES notation for 5-fluoro-N-[(2-hydroxyphenyl)methyl]-2-methylbenzamide?
The canonical SMILES for 5-fluoro-N-[(2-hydroxyphenyl)methyl]-2-methylbenzamide is Cc1ccc(F)cc1C(=O)NCc1ccccc1O.
What is the InChIKey of 5-fluoro-N-[(2-hydroxyphenyl)methyl]-2-methylbenzamide?
The InChIKey is PEUOOXDHWFUSDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO2/c1-10-6-7-12(16)8-13(10)15(19)17-9-11-4-2-3-5-14(11)18/h2-8,18H,9H2,1H3,(H,17,19).
What are the key properties of 5-fluoro-N-[(2-hydroxyphenyl)methyl]-2-methylbenzamide?
5-fluoro-N-[(2-hydroxyphenyl)methyl]-2-methylbenzamide has a molecular weight of 259.28 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[(2-hydroxyphenyl)methyl]-2-methylbenzamide is sourced from PubChem (CID 115598801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).