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

C14H13BrN2O3 — CID 79768120

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

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

N-(3-amino-4-bromophenyl)-2-hydroxy-4-methoxybenzamide (PubChem CID 79768120) 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-4-methoxybenzamide.

Molecular Properties

Compound NameN-(3-amino-4-bromophenyl)-2-hydroxy-4-methoxybenzamide
PubChem CID79768120
Molecular FormulaC14H13BrN2O3
Molecular Weight337.17 g/mol
Exact Mass336.01
IUPAC NameN-(3-amino-4-bromophenyl)-2-hydroxy-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(Br)c(N)c2)c(O)c1
InChIInChI=1S/C14H13BrN2O3/c1-20-9-3-4-10(13(18)7-9)14(19)17-8-2-5-11(15)12(16)6-8/h2-7,18H,16H2,1H3,(H,17,19)
InChIKeyZPQDJKPRPBUGEQ-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-5-methoxybenzamide
CID 79768277
2-hydroxy-N-[4-[(2-hydroxy-4-methoxybenzoyl)amino]phenyl]-4-methoxybenzamide
CID 23249025
N-(3-amino-4-ethylphenyl)-2-bromo-5-methoxybenzamide
CID 43550231
2-hydroxy-4-methoxy-N-(3-methoxyphenyl)benzamide
CID 27167303
N-(3-amino-4-bromophenyl)-2-hydroxybenzamide
CID 79767428
2-amino-N-(3-hydroxy-4-methoxyphenyl)-5-methoxybenzamide
CID 115412684
N-(4-amino-3-bromophenyl)-2,4-dihydroxybenzamide
CID 107721508
2-amino-N-(3-chloro-4-hydroxyphenyl)-5-methoxybenzamide
CID 107679870
2-amino-N-(3-fluoro-4-hydroxyphenyl)-5-methoxybenzamide
CID 115413371
2-bromo-N-(3-fluoro-4-hydroxyphenyl)-5-methoxybenzamide
CID 64781077
N-(5-bromo-6-methyl-2-pyridinyl)-2-hydroxy-4-methoxybenzamide
CID 79048960
2-hydroxy-4-methoxy-N-(4-methylsulfonylphenyl)benzamide
CID 155988762

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-bromophenyl)-2-hydroxy-4-methoxybenzamide?
The IUPAC name of N-(3-amino-4-bromophenyl)-2-hydroxy-4-methoxybenzamide (CID 79768120) is N-(3-amino-4-bromophenyl)-2-hydroxy-4-methoxybenzamide.
What is the SMILES notation for N-(3-amino-4-bromophenyl)-2-hydroxy-4-methoxybenzamide?
The canonical SMILES for N-(3-amino-4-bromophenyl)-2-hydroxy-4-methoxybenzamide is COc1ccc(C(=O)Nc2ccc(Br)c(N)c2)c(O)c1.
What is the InChIKey of N-(3-amino-4-bromophenyl)-2-hydroxy-4-methoxybenzamide?
The InChIKey is ZPQDJKPRPBUGEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O3/c1-20-9-3-4-10(13(18)7-9)14(19)17-8-2-5-11(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-4-methoxybenzamide?
N-(3-amino-4-bromophenyl)-2-hydroxy-4-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-4-methoxybenzamide is sourced from PubChem (CID 79768120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).