2-amino-4-bromo-N-(3-hydroxyphenyl)benzamide

C13H11BrN2O2 — CID 79723333

IUPAC2-amino-4-bromo-N-(3-hydroxyphenyl)benzamide
SMILESNc1cc(Br)ccc1C(=O)Nc1cccc(O)c1
InChIInChI=1S/C13H11BrN2O2/c14-8-4-5-11(12(15)6-8)13(18)16-9-2-1-3-10(17)7-9/h1-7,17H,15H2,(H,16,18)
InChIKeyYIGNOOCKCZMWJN-UHFFFAOYSA-N
MW307.15 g/mol
LogP2.99
Rot. Bonds2

About 2-amino-4-bromo-N-(3-hydroxyphenyl)benzamide

2-amino-4-bromo-N-(3-hydroxyphenyl)benzamide (PubChem CID 79723333) has the molecular formula C13H11BrN2O2 and a molecular weight of 307.15 g/mol. Its IUPAC name is 2-amino-4-bromo-N-(3-hydroxyphenyl)benzamide.

Molecular Properties

Compound Name2-amino-4-bromo-N-(3-hydroxyphenyl)benzamide
PubChem CID79723333
Molecular FormulaC13H11BrN2O2
Molecular Weight307.15 g/mol
Exact Mass306.00
IUPAC Name2-amino-4-bromo-N-(3-hydroxyphenyl)benzamide
SMILESNc1cc(Br)ccc1C(=O)Nc1cccc(O)c1
InChIInChI=1S/C13H11BrN2O2/c14-8-4-5-11(12(15)6-8)13(18)16-9-2-1-3-10(17)7-9/h1-7,17H,15H2,(H,16,18)
InChIKeyYIGNOOCKCZMWJN-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

2-amino-N-(3-hydroxyphenyl)benzamide
CID 3596059
3-amino-5-bromo-N-(3-hydroxyphenyl)-2-methylbenzamide
CID 107872490
2-amino-4-bromo-N-(3-methylsulfonylphenyl)benzamide
CID 79704730
5-bromo-N-(3-hydroxyphenyl)-2-iodobenzamide
CID 78783688
4-bromo-N-(3-hydroxyphenyl)-2-(trifluoromethyl)benzamide
CID 103926239
2-amino-N-(3-hydroxyphenyl)-4,5-dimethoxybenzamide
CID 61168074
2-amino-4-bromo-N-(4-hydroxy-2-methylphenyl)benzamide
CID 79723167
2-bromo-4-fluoro-N-(3-hydroxyphenyl)benzamide
CID 28739689
2-[(2-amino-4-bromobenzoyl)amino]benzoic acid
CID 79721511
3-amino-4-bromo-N-(3-hydroxyphenyl)benzamide
CID 61166318
2-amino-4-bromo-N-(3-chloro-4-methylphenyl)benzamide
CID 79714244
2-amino-4-bromo-N-(2-hydroxy-6-nitrophenyl)benzamide
CID 107681100

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-bromo-N-(3-hydroxyphenyl)benzamide?
The IUPAC name of 2-amino-4-bromo-N-(3-hydroxyphenyl)benzamide (CID 79723333) is 2-amino-4-bromo-N-(3-hydroxyphenyl)benzamide.
What is the SMILES notation for 2-amino-4-bromo-N-(3-hydroxyphenyl)benzamide?
The canonical SMILES for 2-amino-4-bromo-N-(3-hydroxyphenyl)benzamide is Nc1cc(Br)ccc1C(=O)Nc1cccc(O)c1.
What is the InChIKey of 2-amino-4-bromo-N-(3-hydroxyphenyl)benzamide?
The InChIKey is YIGNOOCKCZMWJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN2O2/c14-8-4-5-11(12(15)6-8)13(18)16-9-2-1-3-10(17)7-9/h1-7,17H,15H2,(H,16,18).
What are the key properties of 2-amino-4-bromo-N-(3-hydroxyphenyl)benzamide?
2-amino-4-bromo-N-(3-hydroxyphenyl)benzamide 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 2-amino-4-bromo-N-(3-hydroxyphenyl)benzamide is sourced from PubChem (CID 79723333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).