N-(3-bromo-5-methoxyphenyl)-2,4-dihydroxybenzamide

C14H12BrNO4 — CID 103878372

IUPACN-(3-bromo-5-methoxyphenyl)-2,4-dihydroxybenzamide
SMILESCOc1cc(Br)cc(NC(=O)c2ccc(O)cc2O)c1
InChIInChI=1S/C14H12BrNO4/c1-20-11-5-8(15)4-9(6-11)16-14(19)12-3-2-10(17)7-13(12)18/h2-7,17-18H,1H3,(H,16,19)
InChIKeyHPCHZZMZRVXRRF-UHFFFAOYSA-N
MW338.16 g/mol
LogP3.12
Rot. Bonds3

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

N-(3-bromo-5-methoxyphenyl)-2,4-dihydroxybenzamide (PubChem CID 103878372) has the molecular formula C14H12BrNO4 and a molecular weight of 338.16 g/mol. Its IUPAC name is N-(3-bromo-5-methoxyphenyl)-2,4-dihydroxybenzamide.

Molecular Properties

Compound NameN-(3-bromo-5-methoxyphenyl)-2,4-dihydroxybenzamide
PubChem CID103878372
Molecular FormulaC14H12BrNO4
Molecular Weight338.16 g/mol
Exact Mass336.99
IUPAC NameN-(3-bromo-5-methoxyphenyl)-2,4-dihydroxybenzamide
SMILESCOc1cc(Br)cc(NC(=O)c2ccc(O)cc2O)c1
InChIInChI=1S/C14H12BrNO4/c1-20-11-5-8(15)4-9(6-11)16-14(19)12-3-2-10(17)7-13(12)18/h2-7,17-18H,1H3,(H,16,19)
InChIKeyHPCHZZMZRVXRRF-UHFFFAOYSA-N
XLogP3.12
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.16
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-bromo-5-methoxyphenyl)-2-fluoro-4-methoxybenzamide
CID 103876604
2-amino-N-(3-bromo-5-methoxyphenyl)-5-methoxybenzamide
CID 82859159
2-hydroxy-N-[4-[(2-hydroxy-4-methoxybenzoyl)amino]phenyl]-4-methoxybenzamide
CID 23249025
2-amino-N-(3-bromo-5-methoxyphenyl)-4-fluorobenzamide
CID 82859029
N-(3-bromo-5-methoxyphenyl)-3-hydroxy-4-methoxybenzamide
CID 82858870
2-hydroxy-4-methoxy-N-(3-methoxyphenyl)benzamide
CID 27167303
N-(3-bromo-5-methoxyphenyl)benzamide
CID 82860164
N-(3,4-dimethoxyphenyl)-2,4-dihydroxybenzamide
CID 103606001
N-(3-bromo-5-methoxyphenyl)-2-hydrazinylpyridine-3-carboxamide
CID 82858745
N-(3-amino-4-bromophenyl)-2-hydroxy-4-methoxybenzamide
CID 79768120
5-bromo-N-(3-bromo-5-methoxyphenyl)thiophene-2-carboxamide
CID 82868079
N-(3-bromo-5-methoxyphenyl)-3-fluoro-2-hydrazinylpyridine-4-carboxamide
CID 105388544

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-5-methoxyphenyl)-2,4-dihydroxybenzamide?
The IUPAC name of N-(3-bromo-5-methoxyphenyl)-2,4-dihydroxybenzamide (CID 103878372) is N-(3-bromo-5-methoxyphenyl)-2,4-dihydroxybenzamide.
What is the SMILES notation for N-(3-bromo-5-methoxyphenyl)-2,4-dihydroxybenzamide?
The canonical SMILES for N-(3-bromo-5-methoxyphenyl)-2,4-dihydroxybenzamide is COc1cc(Br)cc(NC(=O)c2ccc(O)cc2O)c1.
What is the InChIKey of N-(3-bromo-5-methoxyphenyl)-2,4-dihydroxybenzamide?
The InChIKey is HPCHZZMZRVXRRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrNO4/c1-20-11-5-8(15)4-9(6-11)16-14(19)12-3-2-10(17)7-13(12)18/h2-7,17-18H,1H3,(H,16,19).
What are the key properties of N-(3-bromo-5-methoxyphenyl)-2,4-dihydroxybenzamide?
N-(3-bromo-5-methoxyphenyl)-2,4-dihydroxybenzamide has a molecular weight of 338.16 g/mol, XLogP of 3.12, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-5-methoxyphenyl)-2,4-dihydroxybenzamide is sourced from PubChem (CID 103878372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).