N-[(4-aminophenyl)methyl]-5-bromo-2-hydroxybenzamide

C14H13BrN2O2 — CID 107729215

IUPACN-[(4-aminophenyl)methyl]-5-bromo-2-hydroxybenzamide
SMILESNc1ccc(CNC(=O)c2cc(Br)ccc2O)cc1
InChIInChI=1S/C14H13BrN2O2/c15-10-3-6-13(18)12(7-10)14(19)17-8-9-1-4-11(16)5-2-9/h1-7,18H,8,16H2,(H,17,19)
InChIKeyIIJCAFOCMMZEJE-UHFFFAOYSA-N
MW321.17 g/mol
LogP2.67
Rot. Bonds3

About N-[(4-aminophenyl)methyl]-5-bromo-2-hydroxybenzamide

N-[(4-aminophenyl)methyl]-5-bromo-2-hydroxybenzamide (PubChem CID 107729215) has the molecular formula C14H13BrN2O2 and a molecular weight of 321.17 g/mol. Its IUPAC name is N-[(4-aminophenyl)methyl]-5-bromo-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[(4-aminophenyl)methyl]-5-bromo-2-hydroxybenzamide
PubChem CID107729215
Molecular FormulaC14H13BrN2O2
Molecular Weight321.17 g/mol
Exact Mass320.02
IUPAC NameN-[(4-aminophenyl)methyl]-5-bromo-2-hydroxybenzamide
SMILESNc1ccc(CNC(=O)c2cc(Br)ccc2O)cc1
InChIInChI=1S/C14H13BrN2O2/c15-10-3-6-13(18)12(7-10)14(19)17-8-9-1-4-11(16)5-2-9/h1-7,18H,8,16H2,(H,17,19)
InChIKeyIIJCAFOCMMZEJE-UHFFFAOYSA-N
XLogP2.67
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.17
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-bromo-2-hydroxy-N-[(4-methylphenyl)methyl]benzamide
CID 27163181
N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-5-bromo-2-hydroxybenzamide
CID 55816021
5-bromo-2-hydroxy-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]benzamide
CID 55798078
5-bromo-2-hydroxy-N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]benzamide
CID 60584852
5-bromo-2-hydroxy-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 27164512
5-bromo-N-[(4-bromothiophen-2-yl)methyl]-2-hydroxybenzamide
CID 107729654
1-[(5-bromo-2-hydroxybenzoyl)amino]-3-[(4-fluorophenyl)methyl]thiourea
CID 1295683
N-(3-aminopropyl)-5-bromo-2-hydroxybenzamide
CID 104872204
5-bromo-N-but-2-ynyl-2-hydroxybenzamide
CID 103871171
2-amino-4-bromo-N-[(4-chlorophenyl)methyl]benzamide
CID 79714993
5-amino-N-[(4-bromophenyl)methyl]-2-methoxybenzamide
CID 61090611
5-bromo-N-[(2-fluorophenyl)methyl]-2-hydroxybenzamide
CID 27163577

Frequently Asked Questions

What is the IUPAC name of N-[(4-aminophenyl)methyl]-5-bromo-2-hydroxybenzamide?
The IUPAC name of N-[(4-aminophenyl)methyl]-5-bromo-2-hydroxybenzamide (CID 107729215) is N-[(4-aminophenyl)methyl]-5-bromo-2-hydroxybenzamide.
What is the SMILES notation for N-[(4-aminophenyl)methyl]-5-bromo-2-hydroxybenzamide?
The canonical SMILES for N-[(4-aminophenyl)methyl]-5-bromo-2-hydroxybenzamide is Nc1ccc(CNC(=O)c2cc(Br)ccc2O)cc1.
What is the InChIKey of N-[(4-aminophenyl)methyl]-5-bromo-2-hydroxybenzamide?
The InChIKey is IIJCAFOCMMZEJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O2/c15-10-3-6-13(18)12(7-10)14(19)17-8-9-1-4-11(16)5-2-9/h1-7,18H,8,16H2,(H,17,19).
What are the key properties of N-[(4-aminophenyl)methyl]-5-bromo-2-hydroxybenzamide?
N-[(4-aminophenyl)methyl]-5-bromo-2-hydroxybenzamide has a molecular weight of 321.17 g/mol, XLogP of 2.67, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminophenyl)methyl]-5-bromo-2-hydroxybenzamide is sourced from PubChem (CID 107729215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).