N-(3-amino-4-bromophenyl)-2-hydroxy-5-methoxybenzamide

C14H13BrN2O3 — CID 79768277

IUPACN-(3-amino-4-bromophenyl)-2-hydroxy-5-methoxybenzamide
SMILESCOc1ccc(O)c(C(=O)Nc2ccc(Br)c(N)c2)c1
InChIInChI=1S/C14H13BrN2O3/c1-20-9-3-5-13(18)10(7-9)14(19)17-8-2-4-11(15)12(16)6-8/h2-7,18H,16H2,1H3,(H,17,19)
InChIKeyZOOSHIYITPCGGN-UHFFFAOYSA-N
MW337.17 g/mol
LogP3.00
Rot. Bonds3

About N-(3-amino-4-bromophenyl)-2-hydroxy-5-methoxybenzamide

N-(3-amino-4-bromophenyl)-2-hydroxy-5-methoxybenzamide (PubChem CID 79768277) has the molecular formula C14H13BrN2O3 and a molecular weight of 337.17 g/mol. Its IUPAC name is N-(3-amino-4-bromophenyl)-2-hydroxy-5-methoxybenzamide.

Molecular Properties

Compound NameN-(3-amino-4-bromophenyl)-2-hydroxy-5-methoxybenzamide
PubChem CID79768277
Molecular FormulaC14H13BrN2O3
Molecular Weight337.17 g/mol
Exact Mass336.01
IUPAC NameN-(3-amino-4-bromophenyl)-2-hydroxy-5-methoxybenzamide
SMILESCOc1ccc(O)c(C(=O)Nc2ccc(Br)c(N)c2)c1
InChIInChI=1S/C14H13BrN2O3/c1-20-9-3-5-13(18)10(7-9)14(19)17-8-2-4-11(15)12(16)6-8/h2-7,18H,16H2,1H3,(H,17,19)
InChIKeyZOOSHIYITPCGGN-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

N-(3-amino-4-bromophenyl)-2-hydroxy-4-methoxybenzamide
CID 79768120
N-(3-amino-4-ethylphenyl)-2-bromo-5-methoxybenzamide
CID 43550231
2-amino-N-(3-chloro-4-hydroxyphenyl)-5-methoxybenzamide
CID 107679870
2-bromo-N-(3-fluoro-4-hydroxyphenyl)-5-methoxybenzamide
CID 64781077
2-amino-N-(3-fluoro-4-hydroxyphenyl)-5-methoxybenzamide
CID 115413371
N-(3-amino-4-bromophenyl)-5-chloro-2-hydroxybenzamide
CID 79767581
2-amino-N-(3-hydroxy-4-methoxyphenyl)-5-methoxybenzamide
CID 115412684
N-(3-amino-4-bromophenyl)-2-hydroxybenzamide
CID 79767428
5-bromo-2-hydroxy-N-(4-methoxyphenyl)benzamide
CID 14963005
N-(4-amino-2,5-dimethylphenyl)-2-hydroxy-5-methoxybenzamide
CID 103144431
N-(4-ethylphenyl)-2-hydroxy-5-methoxybenzamide
CID 60716192
N-(4-formylphenyl)-2-hydroxy-5-methoxybenzamide
CID 106912375

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-bromophenyl)-2-hydroxy-5-methoxybenzamide?
The IUPAC name of N-(3-amino-4-bromophenyl)-2-hydroxy-5-methoxybenzamide (CID 79768277) is N-(3-amino-4-bromophenyl)-2-hydroxy-5-methoxybenzamide.
What is the SMILES notation for N-(3-amino-4-bromophenyl)-2-hydroxy-5-methoxybenzamide?
The canonical SMILES for N-(3-amino-4-bromophenyl)-2-hydroxy-5-methoxybenzamide is COc1ccc(O)c(C(=O)Nc2ccc(Br)c(N)c2)c1.
What is the InChIKey of N-(3-amino-4-bromophenyl)-2-hydroxy-5-methoxybenzamide?
The InChIKey is ZOOSHIYITPCGGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O3/c1-20-9-3-5-13(18)10(7-9)14(19)17-8-2-4-11(15)12(16)6-8/h2-7,18H,16H2,1H3,(H,17,19).
What are the key properties of N-(3-amino-4-bromophenyl)-2-hydroxy-5-methoxybenzamide?
N-(3-amino-4-bromophenyl)-2-hydroxy-5-methoxybenzamide 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-(3-amino-4-bromophenyl)-2-hydroxy-5-methoxybenzamide is sourced from PubChem (CID 79768277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).