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

C13H11BrN2O2 — CID 61166318

IUPAC3-amino-4-bromo-N-(3-hydroxyphenyl)benzamide
SMILESNc1cc(C(=O)Nc2cccc(O)c2)ccc1Br
InChIInChI=1S/C13H11BrN2O2/c14-11-5-4-8(6-12(11)15)13(18)16-9-2-1-3-10(17)7-9/h1-7,17H,15H2,(H,16,18)
InChIKeyXTVSKJMFDWZNCU-UHFFFAOYSA-N
MW307.15 g/mol
LogP2.99
Rot. Bonds2

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

3-amino-4-bromo-N-(3-hydroxyphenyl)benzamide (PubChem CID 61166318) has the molecular formula C13H11BrN2O2 and a molecular weight of 307.15 g/mol. Its IUPAC name is 3-amino-4-bromo-N-(3-hydroxyphenyl)benzamide.

Molecular Properties

Compound Name3-amino-4-bromo-N-(3-hydroxyphenyl)benzamide
PubChem CID61166318
Molecular FormulaC13H11BrN2O2
Molecular Weight307.15 g/mol
Exact Mass306.00
IUPAC Name3-amino-4-bromo-N-(3-hydroxyphenyl)benzamide
SMILESNc1cc(C(=O)Nc2cccc(O)c2)ccc1Br
InChIInChI=1S/C13H11BrN2O2/c14-11-5-4-8(6-12(11)15)13(18)16-9-2-1-3-10(17)7-9/h1-7,17H,15H2,(H,16,18)
InChIKeyXTVSKJMFDWZNCU-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

3-amino-4-bromo-N-(3-bromophenyl)benzamide
CID 61091693
4-amino-N-(3-hydroxyphenyl)-3-methylbenzamide
CID 61167676
N-(4-amino-3-bromophenyl)-3-hydroxybenzamide
CID 82861483
3-amino-4-bromo-N-(3-ethylphenyl)benzamide
CID 61090789
3-amino-4-bromo-N-naphthalen-2-ylbenzamide
CID 61116894
3-amino-4-bromo-N-(3,4-difluorophenyl)benzamide
CID 61090796
3-amino-4-bromo-N-pyridin-3-ylbenzamide
CID 61090533
3-[(3-hydroxybenzoyl)amino]benzamide
CID 103605136
3-amino-N-(3-amino-4-hydroxyphenyl)-4-hydroxybenzamide
CID 142370763
4-acetamido-N-(3-hydroxyphenyl)benzamide
CID 110463964
2-amino-N-(3-hydroxyphenyl)benzamide
CID 3596059
3-amino-4-bromo-N-(4-fluoro-3-methylphenyl)benzamide
CID 55118828

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-bromo-N-(3-hydroxyphenyl)benzamide?
The IUPAC name of 3-amino-4-bromo-N-(3-hydroxyphenyl)benzamide (CID 61166318) is 3-amino-4-bromo-N-(3-hydroxyphenyl)benzamide.
What is the SMILES notation for 3-amino-4-bromo-N-(3-hydroxyphenyl)benzamide?
The canonical SMILES for 3-amino-4-bromo-N-(3-hydroxyphenyl)benzamide is Nc1cc(C(=O)Nc2cccc(O)c2)ccc1Br.
What is the InChIKey of 3-amino-4-bromo-N-(3-hydroxyphenyl)benzamide?
The InChIKey is XTVSKJMFDWZNCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN2O2/c14-11-5-4-8(6-12(11)15)13(18)16-9-2-1-3-10(17)7-9/h1-7,17H,15H2,(H,16,18).
What are the key properties of 3-amino-4-bromo-N-(3-hydroxyphenyl)benzamide?
3-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 3-amino-4-bromo-N-(3-hydroxyphenyl)benzamide is sourced from PubChem (CID 61166318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).