N-(2-amino-4-methoxyphenyl)-5-bromo-2-hydroxybenzamide

C14H13BrN2O3 — CID 107729175

IUPACN-(2-amino-4-methoxyphenyl)-5-bromo-2-hydroxybenzamide
SMILESCOc1ccc(NC(=O)c2cc(Br)ccc2O)c(N)c1
InChIInChI=1S/C14H13BrN2O3/c1-20-9-3-4-12(11(16)7-9)17-14(19)10-6-8(15)2-5-13(10)18/h2-7,18H,16H2,1H3,(H,17,19)
InChIKeyWDCKLIBFXSNBCM-UHFFFAOYSA-N
MW337.17 g/mol
LogP3.00
Rot. Bonds3

About N-(2-amino-4-methoxyphenyl)-5-bromo-2-hydroxybenzamide

N-(2-amino-4-methoxyphenyl)-5-bromo-2-hydroxybenzamide (PubChem CID 107729175) has the molecular formula C14H13BrN2O3 and a molecular weight of 337.17 g/mol. Its IUPAC name is N-(2-amino-4-methoxyphenyl)-5-bromo-2-hydroxybenzamide.

Molecular Properties

Compound NameN-(2-amino-4-methoxyphenyl)-5-bromo-2-hydroxybenzamide
PubChem CID107729175
Molecular FormulaC14H13BrN2O3
Molecular Weight337.17 g/mol
Exact Mass336.01
IUPAC NameN-(2-amino-4-methoxyphenyl)-5-bromo-2-hydroxybenzamide
SMILESCOc1ccc(NC(=O)c2cc(Br)ccc2O)c(N)c1
InChIInChI=1S/C14H13BrN2O3/c1-20-9-3-4-12(11(16)7-9)17-14(19)10-6-8(15)2-5-13(10)18/h2-7,18H,16H2,1H3,(H,17,19)
InChIKeyWDCKLIBFXSNBCM-UHFFFAOYSA-N
XLogP3.00
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.17
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-bromo-2-hydroxy-N-(4-methoxyphenyl)benzamide
CID 14963005
2-amino-N-(2,5-dibromophenyl)-4-methoxybenzamide
CID 115412703
N-(4-amino-2,5-dimethylphenyl)-2-hydroxy-5-methoxybenzamide
CID 103144431
N-(2-amino-4-bromophenyl)-4-bromo-2-methoxybenzamide
CID 115368533
N-(3-amino-4-bromophenyl)-2-hydroxy-5-methoxybenzamide
CID 79768277
N-(2-bromo-4-methylphenyl)-2-hydroxy-5-methoxybenzamide
CID 60715660
N-(2-amino-4-methylphenyl)-2-hydroxy-4-methoxybenzamide
CID 43259027
N-(5-amino-2,4-difluorophenyl)-5-bromo-2-hydroxybenzamide
CID 107729211
N-(2-fluoro-4-hydroxyphenyl)-2-hydroxy-5-methoxybenzamide
CID 64794044
2-amino-N-(5-bromo-2-cyanophenyl)-4-methoxybenzamide
CID 107798157
2-amino-N-(2-hydroxy-5-methylphenyl)-4-methoxybenzamide
CID 80504227
2-amino-N-(2-hydroxy-4-methoxyphenyl)-5-methylbenzamide
CID 102695337

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-methoxyphenyl)-5-bromo-2-hydroxybenzamide?
The IUPAC name of N-(2-amino-4-methoxyphenyl)-5-bromo-2-hydroxybenzamide (CID 107729175) is N-(2-amino-4-methoxyphenyl)-5-bromo-2-hydroxybenzamide.
What is the SMILES notation for N-(2-amino-4-methoxyphenyl)-5-bromo-2-hydroxybenzamide?
The canonical SMILES for N-(2-amino-4-methoxyphenyl)-5-bromo-2-hydroxybenzamide is COc1ccc(NC(=O)c2cc(Br)ccc2O)c(N)c1.
What is the InChIKey of N-(2-amino-4-methoxyphenyl)-5-bromo-2-hydroxybenzamide?
The InChIKey is WDCKLIBFXSNBCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O3/c1-20-9-3-4-12(11(16)7-9)17-14(19)10-6-8(15)2-5-13(10)18/h2-7,18H,16H2,1H3,(H,17,19).
What are the key properties of N-(2-amino-4-methoxyphenyl)-5-bromo-2-hydroxybenzamide?
N-(2-amino-4-methoxyphenyl)-5-bromo-2-hydroxybenzamide has a molecular weight of 337.17 g/mol, XLogP of 3.00, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-methoxyphenyl)-5-bromo-2-hydroxybenzamide is sourced from PubChem (CID 107729175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).