3-fluoro-N-[2-(hydroxymethyl)phenyl]-4-methylbenzamide

C15H14FNO2 — CID 60682262

IUPAC3-fluoro-N-[2-(hydroxymethyl)phenyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccccc2CO)cc1F
InChIInChI=1S/C15H14FNO2/c1-10-6-7-11(8-13(10)16)15(19)17-14-5-3-2-4-12(14)9-18/h2-8,18H,9H2,1H3,(H,17,19)
InChIKeyACMIBOQEHKOFHB-UHFFFAOYSA-N
MW259.28 g/mol
LogP2.88
Rot. Bonds3

About 3-fluoro-N-[2-(hydroxymethyl)phenyl]-4-methylbenzamide

3-fluoro-N-[2-(hydroxymethyl)phenyl]-4-methylbenzamide (PubChem CID 60682262) has the molecular formula C15H14FNO2 and a molecular weight of 259.28 g/mol. Its IUPAC name is 3-fluoro-N-[2-(hydroxymethyl)phenyl]-4-methylbenzamide.

Molecular Properties

Compound Name3-fluoro-N-[2-(hydroxymethyl)phenyl]-4-methylbenzamide
PubChem CID60682262
Molecular FormulaC15H14FNO2
Molecular Weight259.28 g/mol
Exact Mass259.10
IUPAC Name3-fluoro-N-[2-(hydroxymethyl)phenyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccccc2CO)cc1F
InChIInChI=1S/C15H14FNO2/c1-10-6-7-11(8-13(10)16)15(19)17-14-5-3-2-4-12(14)9-18/h2-8,18H,9H2,1H3,(H,17,19)
InChIKeyACMIBOQEHKOFHB-UHFFFAOYSA-N
XLogP2.88
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 ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-difluoro-N-[2-(hydroxymethyl)phenyl]benzamide
CID 61498076
N-[2-[(dimethylamino)methyl]phenyl]-3-fluoro-4-methylbenzamide
CID 31969058
2,6-difluoro-N-[2-(hydroxymethyl)phenyl]-3-methylbenzamide
CID 82815708
N-(2-acetylphenyl)-3-fluoro-4-methylbenzamide
CID 17407608
4-fluoro-3-methyl-N-[2-(methylaminomethyl)phenyl]benzamide
CID 63213814
N-(4-bromo-2-ethylphenyl)-3-fluoro-4-methylbenzamide
CID 81291060
N-[2-(aminomethyl)phenyl]-3-hydroxy-4-methylbenzamide
CID 16772682
2-fluoro-N-[2-(hydroxymethyl)phenyl]pyridine-4-carboxamide
CID 61294571
3-fluoro-4-methyl-N-[2-(2-methylpropylcarbamoyl)phenyl]benzamide
CID 34732619
4-amino-3-fluoro-N-(2-methylphenyl)benzamide
CID 55102680
3-fluoro-4-methyl-N-(2,3,4-trifluorophenyl)benzamide
CID 26690686
4-(dimethylamino)-N-[2-(hydroxymethyl)phenyl]benzamide
CID 60653502

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-(hydroxymethyl)phenyl]-4-methylbenzamide?
The IUPAC name of 3-fluoro-N-[2-(hydroxymethyl)phenyl]-4-methylbenzamide (CID 60682262) is 3-fluoro-N-[2-(hydroxymethyl)phenyl]-4-methylbenzamide.
What is the SMILES notation for 3-fluoro-N-[2-(hydroxymethyl)phenyl]-4-methylbenzamide?
The canonical SMILES for 3-fluoro-N-[2-(hydroxymethyl)phenyl]-4-methylbenzamide is Cc1ccc(C(=O)Nc2ccccc2CO)cc1F.
What is the InChIKey of 3-fluoro-N-[2-(hydroxymethyl)phenyl]-4-methylbenzamide?
The InChIKey is ACMIBOQEHKOFHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO2/c1-10-6-7-11(8-13(10)16)15(19)17-14-5-3-2-4-12(14)9-18/h2-8,18H,9H2,1H3,(H,17,19).
What are the key properties of 3-fluoro-N-[2-(hydroxymethyl)phenyl]-4-methylbenzamide?
3-fluoro-N-[2-(hydroxymethyl)phenyl]-4-methylbenzamide has a molecular weight of 259.28 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[2-(hydroxymethyl)phenyl]-4-methylbenzamide is sourced from PubChem (CID 60682262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).