N-(2-aminophenyl)-4-bromo-3-hydroxybenzamide

C13H11BrN2O2 — CID 114103160

IUPACN-(2-aminophenyl)-4-bromo-3-hydroxybenzamide
SMILESNc1ccccc1NC(=O)c1ccc(Br)c(O)c1
InChIInChI=1S/C13H11BrN2O2/c14-9-6-5-8(7-12(9)17)13(18)16-11-4-2-1-3-10(11)15/h1-7,17H,15H2,(H,16,18)
InChIKeyRCSDIIKSJIRMIJ-UHFFFAOYSA-N
MW307.15 g/mol
LogP2.99
Rot. Bonds2

About N-(2-aminophenyl)-4-bromo-3-hydroxybenzamide

N-(2-aminophenyl)-4-bromo-3-hydroxybenzamide (PubChem CID 114103160) has the molecular formula C13H11BrN2O2 and a molecular weight of 307.15 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-bromo-3-hydroxybenzamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-bromo-3-hydroxybenzamide
PubChem CID114103160
Molecular FormulaC13H11BrN2O2
Molecular Weight307.15 g/mol
Exact Mass306.00
IUPAC NameN-(2-aminophenyl)-4-bromo-3-hydroxybenzamide
SMILESNc1ccccc1NC(=O)c1ccc(Br)c(O)c1
InChIInChI=1S/C13H11BrN2O2/c14-9-6-5-8(7-12(9)17)13(18)16-11-4-2-1-3-10(11)15/h1-7,17H,15H2,(H,16,18)
InChIKeyRCSDIIKSJIRMIJ-UHFFFAOYSA-N
XLogP2.99
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.15
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminophenyl)-4-hydroxy-3-methylbenzamide
CID 107671931
N-(2-bromophenyl)-3-hydroxy-4-iodobenzamide
CID 104627291
4-bromo-N-[2-(difluoromethylsulfanyl)phenyl]-3-hydroxybenzamide
CID 103956331
N-(2-aminophenyl)-4-hydroxybenzamide;ethane
CID 145225833
4-bromo-3-hydroxy-N-(2-methyl-3-pyridinyl)benzamide
CID 103957362
3-amino-4-fluoro-N-(2-hydroxyphenyl)benzamide
CID 110488257
4-[(2-aminophenyl)carbamoyl]benzoic acid
CID 61408098
4-amino-N-(2-bromophenyl)-3-iodobenzamide
CID 112750750
4-bromo-3-hydroxy-N-quinolin-8-ylbenzamide
CID 103871242
4-bromo-3-hydroxy-N-(3-iodophenyl)benzamide
CID 113342592
N-(2-aminophenyl)-4-(hydroxyamino)benzamide
CID 155418611
N-(2-aminophenyl)-6-oxopyran-3-carboxamide
CID 43600019

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-bromo-3-hydroxybenzamide?
The IUPAC name of N-(2-aminophenyl)-4-bromo-3-hydroxybenzamide (CID 114103160) is N-(2-aminophenyl)-4-bromo-3-hydroxybenzamide.
What is the SMILES notation for N-(2-aminophenyl)-4-bromo-3-hydroxybenzamide?
The canonical SMILES for N-(2-aminophenyl)-4-bromo-3-hydroxybenzamide is Nc1ccccc1NC(=O)c1ccc(Br)c(O)c1.
What is the InChIKey of N-(2-aminophenyl)-4-bromo-3-hydroxybenzamide?
The InChIKey is RCSDIIKSJIRMIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN2O2/c14-9-6-5-8(7-12(9)17)13(18)16-11-4-2-1-3-10(11)15/h1-7,17H,15H2,(H,16,18).
What are the key properties of N-(2-aminophenyl)-4-bromo-3-hydroxybenzamide?
N-(2-aminophenyl)-4-bromo-3-hydroxybenzamide has a molecular weight of 307.15 g/mol, XLogP of 2.99, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-4-bromo-3-hydroxybenzamide is sourced from PubChem (CID 114103160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).