3,4-difluoro-N-[2-(hydroxymethyl)phenyl]benzamide

C14H11F2NO2 — CID 61498076

IUPAC3,4-difluoro-N-[2-(hydroxymethyl)phenyl]benzamide
SMILESO=C(Nc1ccccc1CO)c1ccc(F)c(F)c1
InChIInChI=1S/C14H11F2NO2/c15-11-6-5-9(7-12(11)16)14(19)17-13-4-2-1-3-10(13)8-18/h1-7,18H,8H2,(H,17,19)
InChIKeyBJNNZXOACWLXGJ-UHFFFAOYSA-N
MW263.24 g/mol
LogP2.71
Rot. Bonds3

About 3,4-difluoro-N-[2-(hydroxymethyl)phenyl]benzamide

3,4-difluoro-N-[2-(hydroxymethyl)phenyl]benzamide (PubChem CID 61498076) has the molecular formula C14H11F2NO2 and a molecular weight of 263.24 g/mol. Its IUPAC name is 3,4-difluoro-N-[2-(hydroxymethyl)phenyl]benzamide.

Molecular Properties

Compound Name3,4-difluoro-N-[2-(hydroxymethyl)phenyl]benzamide
PubChem CID61498076
Molecular FormulaC14H11F2NO2
Molecular Weight263.24 g/mol
Exact Mass263.08
IUPAC Name3,4-difluoro-N-[2-(hydroxymethyl)phenyl]benzamide
SMILESO=C(Nc1ccccc1CO)c1ccc(F)c(F)c1
InChIInChI=1S/C14H11F2NO2/c15-11-6-5-9(7-12(11)16)14(19)17-13-4-2-1-3-10(13)8-18/h1-7,18H,8H2,(H,17,19)
InChIKeyBJNNZXOACWLXGJ-UHFFFAOYSA-N
XLogP2.71
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.24
LogP ≤ 52.71
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-fluoro-N-[2-(hydroxymethyl)phenyl]pyridine-4-carboxamide
CID 61294571
2,4,6-trifluoro-N-[2-(hydroxymethyl)phenyl]benzamide
CID 65100177
2,3,4-trifluoro-N-[2-(hydroxymethyl)phenyl]benzamide
CID 79749595
N-[2-(hydroxymethyl)phenyl]-1H-indole-6-carboxamide
CID 63748080
4-(dimethylamino)-N-[2-(hydroxymethyl)phenyl]benzamide
CID 60653502
N-(2-carbamothioylphenyl)-3,4-difluorobenzamide
CID 24701990
2,6-difluoro-N-[2-(hydroxymethyl)phenyl]-3-methylbenzamide
CID 82815708
4-fluoro-3-methyl-N-[2-(methylaminomethyl)phenyl]benzamide
CID 63213814
2,5-dichloro-N-[2-(hydroxymethyl)phenyl]benzamide
CID 61497828
3-bromo-4-fluoro-N-(2-propylphenyl)benzamide
CID 103706788
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-3,4-difluorobenzamide
CID 78810118

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-[2-(hydroxymethyl)phenyl]benzamide?
The IUPAC name of 3,4-difluoro-N-[2-(hydroxymethyl)phenyl]benzamide (CID 61498076) is 3,4-difluoro-N-[2-(hydroxymethyl)phenyl]benzamide.
What is the SMILES notation for 3,4-difluoro-N-[2-(hydroxymethyl)phenyl]benzamide?
The canonical SMILES for 3,4-difluoro-N-[2-(hydroxymethyl)phenyl]benzamide is O=C(Nc1ccccc1CO)c1ccc(F)c(F)c1.
What is the InChIKey of 3,4-difluoro-N-[2-(hydroxymethyl)phenyl]benzamide?
The InChIKey is BJNNZXOACWLXGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2NO2/c15-11-6-5-9(7-12(11)16)14(19)17-13-4-2-1-3-10(13)8-18/h1-7,18H,8H2,(H,17,19).
What are the key properties of 3,4-difluoro-N-[2-(hydroxymethyl)phenyl]benzamide?
3,4-difluoro-N-[2-(hydroxymethyl)phenyl]benzamide has a molecular weight of 263.24 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-[2-(hydroxymethyl)phenyl]benzamide is sourced from PubChem (CID 61498076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).