N-(4-bromo-5-fluoro-2-methylphenyl)-3,5-dihydroxybenzamide

C14H11BrFNO3 — CID 104889817

IUPACN-(4-bromo-5-fluoro-2-methylphenyl)-3,5-dihydroxybenzamide
SMILESCc1cc(Br)c(F)cc1NC(=O)c1cc(O)cc(O)c1
InChIInChI=1S/C14H11BrFNO3/c1-7-2-11(15)12(16)6-13(7)17-14(20)8-3-9(18)5-10(19)4-8/h2-6,18-19H,1H3,(H,17,20)
InChIKeyVXVYEGYVQIOACW-UHFFFAOYSA-N
MW340.15 g/mol
LogP3.56
Rot. Bonds2

About N-(4-bromo-5-fluoro-2-methylphenyl)-3,5-dihydroxybenzamide

N-(4-bromo-5-fluoro-2-methylphenyl)-3,5-dihydroxybenzamide (PubChem CID 104889817) has the molecular formula C14H11BrFNO3 and a molecular weight of 340.15 g/mol. Its IUPAC name is N-(4-bromo-5-fluoro-2-methylphenyl)-3,5-dihydroxybenzamide.

Molecular Properties

Compound NameN-(4-bromo-5-fluoro-2-methylphenyl)-3,5-dihydroxybenzamide
PubChem CID104889817
Molecular FormulaC14H11BrFNO3
Molecular Weight340.15 g/mol
Exact Mass338.99
IUPAC NameN-(4-bromo-5-fluoro-2-methylphenyl)-3,5-dihydroxybenzamide
SMILESCc1cc(Br)c(F)cc1NC(=O)c1cc(O)cc(O)c1
InChIInChI=1S/C14H11BrFNO3/c1-7-2-11(15)12(16)6-13(7)17-14(20)8-3-9(18)5-10(19)4-8/h2-6,18-19H,1H3,(H,17,20)
InChIKeyVXVYEGYVQIOACW-UHFFFAOYSA-N
XLogP3.56
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.15
LogP ≤ 53.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,5-difluoro-4-methylphenyl)-3,5-dihydroxybenzamide
CID 107704386
4-amino-N-(4-bromo-5-fluoro-2-methylphenyl)-3-hydroxybenzamide
CID 102739332
3-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)-5-fluorobenzamide
CID 107592505
4-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)benzamide
CID 107592498
N-(4-fluoro-2-methylphenyl)-3,5-dihydroxybenzamide
CID 103891547
3-amino-5-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)benzamide
CID 107590868
N-(4-bromo-2,5-difluorophenyl)-4-hydroxy-3-methylbenzamide
CID 107676398
2-amino-N-(5-bromo-4-fluoro-2-methylphenyl)-6-methylpyridine-4-carboxamide
CID 107593919
3,5-dihydroxy-N-(2,3,5-trifluorophenyl)benzamide
CID 107703907
N-(2,4-difluorophenyl)-3,5-dihydroxybenzamide
CID 103891425
N-(5-bromo-4-fluoro-2-methylphenyl)-3-methoxy-4-methylbenzamide
CID 103274645
N-(3-bromo-4-methylphenyl)-3,5-dihydroxybenzamide
CID 107703359

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-5-fluoro-2-methylphenyl)-3,5-dihydroxybenzamide?
The IUPAC name of N-(4-bromo-5-fluoro-2-methylphenyl)-3,5-dihydroxybenzamide (CID 104889817) is N-(4-bromo-5-fluoro-2-methylphenyl)-3,5-dihydroxybenzamide.
What is the SMILES notation for N-(4-bromo-5-fluoro-2-methylphenyl)-3,5-dihydroxybenzamide?
The canonical SMILES for N-(4-bromo-5-fluoro-2-methylphenyl)-3,5-dihydroxybenzamide is Cc1cc(Br)c(F)cc1NC(=O)c1cc(O)cc(O)c1.
What is the InChIKey of N-(4-bromo-5-fluoro-2-methylphenyl)-3,5-dihydroxybenzamide?
The InChIKey is VXVYEGYVQIOACW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrFNO3/c1-7-2-11(15)12(16)6-13(7)17-14(20)8-3-9(18)5-10(19)4-8/h2-6,18-19H,1H3,(H,17,20).
What are the key properties of N-(4-bromo-5-fluoro-2-methylphenyl)-3,5-dihydroxybenzamide?
N-(4-bromo-5-fluoro-2-methylphenyl)-3,5-dihydroxybenzamide has a molecular weight of 340.15 g/mol, XLogP of 3.56, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-5-fluoro-2-methylphenyl)-3,5-dihydroxybenzamide is sourced from PubChem (CID 104889817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).