2,6-difluoro-N-[2-(hydroxymethyl)phenyl]-3-methylbenzamide

C15H13F2NO2 — CID 82815708

IUPAC2,6-difluoro-N-[2-(hydroxymethyl)phenyl]-3-methylbenzamide
SMILESCc1ccc(F)c(C(=O)Nc2ccccc2CO)c1F
InChIInChI=1S/C15H13F2NO2/c1-9-6-7-11(16)13(14(9)17)15(20)18-12-5-3-2-4-10(12)8-19/h2-7,19H,8H2,1H3,(H,18,20)
InChIKeyRTDQUBIZUIJMGS-UHFFFAOYSA-N
MW277.27 g/mol
LogP3.02
Rot. Bonds3

About 2,6-difluoro-N-[2-(hydroxymethyl)phenyl]-3-methylbenzamide

2,6-difluoro-N-[2-(hydroxymethyl)phenyl]-3-methylbenzamide (PubChem CID 82815708) has the molecular formula C15H13F2NO2 and a molecular weight of 277.27 g/mol. Its IUPAC name is 2,6-difluoro-N-[2-(hydroxymethyl)phenyl]-3-methylbenzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[2-(hydroxymethyl)phenyl]-3-methylbenzamide
PubChem CID82815708
Molecular FormulaC15H13F2NO2
Molecular Weight277.27 g/mol
Exact Mass277.09
IUPAC Name2,6-difluoro-N-[2-(hydroxymethyl)phenyl]-3-methylbenzamide
SMILESCc1ccc(F)c(C(=O)Nc2ccccc2CO)c1F
InChIInChI=1S/C15H13F2NO2/c1-9-6-7-11(16)13(14(9)17)15(20)18-12-5-3-2-4-10(12)8-19/h2-7,19H,8H2,1H3,(H,18,20)
InChIKeyRTDQUBIZUIJMGS-UHFFFAOYSA-N
XLogP3.02
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.27
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-N-[2-(hydroxymethyl)phenyl]-4-methylbenzamide
CID 60682262
2,4,6-trifluoro-N-[2-(hydroxymethyl)phenyl]benzamide
CID 65100177
2,3,4-trifluoro-N-[2-(hydroxymethyl)phenyl]benzamide
CID 79749595
3,4-difluoro-N-[2-(hydroxymethyl)phenyl]benzamide
CID 61498076
N-[2-(hydroxymethyl)phenyl]-2,4-dimethyl-6-methylsulfanylpyrimidine-5-carboxamide
CID 61497884
N-[(2-aminophenyl)methyl]-2,6-difluoro-3-methylbenzamide
CID 82814854
2,6-difluoro-N-(4-hydroxy-2,5-dimethylphenyl)-3-methylbenzamide
CID 106834840
N-[2-(hydroxymethyl)phenyl]acetamide;hydrochloride
CID 142950008
ethane;N-[2-(hydroxymethyl)phenyl]acetamide
CID 91162619
2,2-difluoro-N-[2-(hydroxymethyl)phenyl]acetamide
CID 103513898
3-hydroxy-N-[2-(hydroxymethyl)phenyl]-2-methylbenzamide
CID 82828984
2,5-dichloro-N-[2-(hydroxymethyl)phenyl]benzamide
CID 61497828

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[2-(hydroxymethyl)phenyl]-3-methylbenzamide?
The IUPAC name of 2,6-difluoro-N-[2-(hydroxymethyl)phenyl]-3-methylbenzamide (CID 82815708) is 2,6-difluoro-N-[2-(hydroxymethyl)phenyl]-3-methylbenzamide.
What is the SMILES notation for 2,6-difluoro-N-[2-(hydroxymethyl)phenyl]-3-methylbenzamide?
The canonical SMILES for 2,6-difluoro-N-[2-(hydroxymethyl)phenyl]-3-methylbenzamide is Cc1ccc(F)c(C(=O)Nc2ccccc2CO)c1F.
What is the InChIKey of 2,6-difluoro-N-[2-(hydroxymethyl)phenyl]-3-methylbenzamide?
The InChIKey is RTDQUBIZUIJMGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2NO2/c1-9-6-7-11(16)13(14(9)17)15(20)18-12-5-3-2-4-10(12)8-19/h2-7,19H,8H2,1H3,(H,18,20).
What are the key properties of 2,6-difluoro-N-[2-(hydroxymethyl)phenyl]-3-methylbenzamide?
2,6-difluoro-N-[2-(hydroxymethyl)phenyl]-3-methylbenzamide has a molecular weight of 277.27 g/mol, XLogP of 3.02, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[2-(hydroxymethyl)phenyl]-3-methylbenzamide is sourced from PubChem (CID 82815708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).