2-fluoro-N-[(3-hydroxyphenyl)methyl]-4-methylbenzamide

C15H14FNO2 — CID 79795606

IUPAC2-fluoro-N-[(3-hydroxyphenyl)methyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCc2cccc(O)c2)c(F)c1
InChIInChI=1S/C15H14FNO2/c1-10-5-6-13(14(16)7-10)15(19)17-9-11-3-2-4-12(18)8-11/h2-8,18H,9H2,1H3,(H,17,19)
InChIKeyKEDCNEPIEIQZFY-UHFFFAOYSA-N
MW259.28 g/mol
LogP2.77
Rot. Bonds3

About 2-fluoro-N-[(3-hydroxyphenyl)methyl]-4-methylbenzamide

2-fluoro-N-[(3-hydroxyphenyl)methyl]-4-methylbenzamide (PubChem CID 79795606) has the molecular formula C15H14FNO2 and a molecular weight of 259.28 g/mol. Its IUPAC name is 2-fluoro-N-[(3-hydroxyphenyl)methyl]-4-methylbenzamide.

Molecular Properties

Compound Name2-fluoro-N-[(3-hydroxyphenyl)methyl]-4-methylbenzamide
PubChem CID79795606
Molecular FormulaC15H14FNO2
Molecular Weight259.28 g/mol
Exact Mass259.10
IUPAC Name2-fluoro-N-[(3-hydroxyphenyl)methyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCc2cccc(O)c2)c(F)c1
InChIInChI=1S/C15H14FNO2/c1-10-5-6-13(14(16)7-10)15(19)17-9-11-3-2-4-12(18)8-11/h2-8,18H,9H2,1H3,(H,17,19)
InChIKeyKEDCNEPIEIQZFY-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

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Related Compounds

N-[(3-hydroxyphenyl)methyl]-2,4-dimethylbenzamide
CID 47292289
2,4-difluoro-N-[(3-hydroxyphenyl)methyl]benzamide
CID 47292194
2-fluoro-4-[(3-hydroxyphenyl)methylcarbamoyl]benzoic acid
CID 20714672
N-[[3-(bromomethyl)phenyl]methyl]-2-fluoro-4-hydroxybenzamide
CID 107677678
N-[[4-(chloromethyl)phenyl]methyl]-2-fluoro-4-methylbenzamide
CID 107233356
N-[(2-ethylphenyl)methyl]-2-fluoro-4-methylbenzamide
CID 79791419
2-bromo-4-fluoro-N-[(3-hydroxyphenyl)methyl]benzamide
CID 47292077
5-bromo-2-fluoro-N-[(3-hydroxyphenyl)methyl]benzamide
CID 47292159
2,3-dihydroxy-N-[(3-methylphenyl)methyl]benzamide
CID 114343999
2-hydroxy-N-[[3-(hydroxymethyl)phenyl]methyl]-4-methylbenzamide
CID 63311354
N-[(3-hydroxyphenyl)methyl]-2,6-dimethylbenzamide
CID 103769243
2-fluoro-3-methyl-N-[(3-methylphenyl)methyl]benzamide
CID 80718612

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(3-hydroxyphenyl)methyl]-4-methylbenzamide?
The IUPAC name of 2-fluoro-N-[(3-hydroxyphenyl)methyl]-4-methylbenzamide (CID 79795606) is 2-fluoro-N-[(3-hydroxyphenyl)methyl]-4-methylbenzamide.
What is the SMILES notation for 2-fluoro-N-[(3-hydroxyphenyl)methyl]-4-methylbenzamide?
The canonical SMILES for 2-fluoro-N-[(3-hydroxyphenyl)methyl]-4-methylbenzamide is Cc1ccc(C(=O)NCc2cccc(O)c2)c(F)c1.
What is the InChIKey of 2-fluoro-N-[(3-hydroxyphenyl)methyl]-4-methylbenzamide?
The InChIKey is KEDCNEPIEIQZFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO2/c1-10-5-6-13(14(16)7-10)15(19)17-9-11-3-2-4-12(18)8-11/h2-8,18H,9H2,1H3,(H,17,19).
What are the key properties of 2-fluoro-N-[(3-hydroxyphenyl)methyl]-4-methylbenzamide?
2-fluoro-N-[(3-hydroxyphenyl)methyl]-4-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 2-fluoro-N-[(3-hydroxyphenyl)methyl]-4-methylbenzamide is sourced from PubChem (CID 79795606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).