2-bromo-6-fluoro-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide

C15H13BrFNO2 — CID 107231275

IUPAC2-bromo-6-fluoro-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide
SMILESO=C(NCc1ccc(CO)cc1)c1c(F)cccc1Br
InChIInChI=1S/C15H13BrFNO2/c16-12-2-1-3-13(17)14(12)15(20)18-8-10-4-6-11(9-19)7-5-10/h1-7,19H,8-9H2,(H,18,20)
InChIKeyZPZPAFJJTPGQFS-UHFFFAOYSA-N
MW338.18 g/mol
LogP3.01
Rot. Bonds4

About 2-bromo-6-fluoro-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide

2-bromo-6-fluoro-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide (PubChem CID 107231275) has the molecular formula C15H13BrFNO2 and a molecular weight of 338.18 g/mol. Its IUPAC name is 2-bromo-6-fluoro-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name2-bromo-6-fluoro-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide
PubChem CID107231275
Molecular FormulaC15H13BrFNO2
Molecular Weight338.18 g/mol
Exact Mass337.01
IUPAC Name2-bromo-6-fluoro-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide
SMILESO=C(NCc1ccc(CO)cc1)c1c(F)cccc1Br
InChIInChI=1S/C15H13BrFNO2/c16-12-2-1-3-13(17)14(12)15(20)18-8-10-4-6-11(9-19)7-5-10/h1-7,19H,8-9H2,(H,18,20)
InChIKeyZPZPAFJJTPGQFS-UHFFFAOYSA-N
XLogP3.01
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.18
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-[(4-carbamothioylphenyl)methyl]-6-fluorobenzamide
CID 114559257
N-[(4-bromophenyl)methyl]-2-fluoro-6-hydroxybenzamide
CID 104917477
2,6-dibromo-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide
CID 100695919
2-bromo-6-fluoro-N-[2-(4-hydroxyphenyl)ethyl]benzamide
CID 115687343
N-[(4-aminophenyl)methyl]-2,6-difluorobenzamide
CID 60893159
2,6-difluoro-N-[(4-methylphenyl)methyl]benzamide
CID 8781288
2-bromo-N-[(2,4-difluorophenyl)methyl]-6-fluorobenzamide
CID 115678323
2-(2,6-difluorophenyl)-N-[[4-(hydroxymethyl)phenyl]methyl]acetamide
CID 107231725
2-bromo-N-butyl-6-fluorobenzamide
CID 115678075
2-bromo-6-fluoro-N-prop-2-enylbenzamide
CID 115678484
2-bromo-6-fluoro-N-(3-phenylpropyl)benzamide
CID 115678122
N-(2-amino-2-sulfanylideneethyl)-2-bromo-6-fluorobenzamide
CID 114559233

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-fluoro-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide?
The IUPAC name of 2-bromo-6-fluoro-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide (CID 107231275) is 2-bromo-6-fluoro-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 2-bromo-6-fluoro-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide?
The canonical SMILES for 2-bromo-6-fluoro-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide is O=C(NCc1ccc(CO)cc1)c1c(F)cccc1Br.
What is the InChIKey of 2-bromo-6-fluoro-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide?
The InChIKey is ZPZPAFJJTPGQFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFNO2/c16-12-2-1-3-13(17)14(12)15(20)18-8-10-4-6-11(9-19)7-5-10/h1-7,19H,8-9H2,(H,18,20).
What are the key properties of 2-bromo-6-fluoro-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide?
2-bromo-6-fluoro-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide has a molecular weight of 338.18 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-fluoro-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 107231275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).