3-amino-5-bromo-N-(3-hydroxy-4-methylphenyl)benzamide

C14H13BrN2O2 — CID 107699369

IUPAC3-amino-5-bromo-N-(3-hydroxy-4-methylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2cc(N)cc(Br)c2)cc1O
InChIInChI=1S/C14H13BrN2O2/c1-8-2-3-12(7-13(8)18)17-14(19)9-4-10(15)6-11(16)5-9/h2-7,18H,16H2,1H3,(H,17,19)
InChIKeyHZQVYIJGRMRGCO-UHFFFAOYSA-N
MW321.17 g/mol
LogP3.30
Rot. Bonds2

About 3-amino-5-bromo-N-(3-hydroxy-4-methylphenyl)benzamide

3-amino-5-bromo-N-(3-hydroxy-4-methylphenyl)benzamide (PubChem CID 107699369) has the molecular formula C14H13BrN2O2 and a molecular weight of 321.17 g/mol. Its IUPAC name is 3-amino-5-bromo-N-(3-hydroxy-4-methylphenyl)benzamide.

Molecular Properties

Compound Name3-amino-5-bromo-N-(3-hydroxy-4-methylphenyl)benzamide
PubChem CID107699369
Molecular FormulaC14H13BrN2O2
Molecular Weight321.17 g/mol
Exact Mass320.02
IUPAC Name3-amino-5-bromo-N-(3-hydroxy-4-methylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2cc(N)cc(Br)c2)cc1O
InChIInChI=1S/C14H13BrN2O2/c1-8-2-3-12(7-13(8)18)17-14(19)9-4-10(15)6-11(16)5-9/h2-7,18H,16H2,1H3,(H,17,19)
InChIKeyHZQVYIJGRMRGCO-UHFFFAOYSA-N
XLogP3.30
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.17
LogP ≤ 53.30
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-(4-amino-3-methylphenyl)-3,5-dibromobenzamide
CID 107971017
3-amino-5-bromo-N-(3,4-dicyanophenyl)benzamide
CID 107786866
N-(3-hydroxy-4-methylphenyl)-4-methylbenzamide
CID 837218
3-amino-5-fluoro-N-(3-hydroxy-4-methylphenyl)-4-methylbenzamide
CID 107699249
4-bromo-2-hydroxy-N-(3-hydroxy-4-methylphenyl)benzamide
CID 64793271
1-N,3-N-bis(3-amino-4-methylphenyl)-5-hydroxybenzene-1,3-dicarboxamide
CID 139753115
N-(3-hydroxy-4-methylphenyl)-4-iodobenzamide
CID 64792908
3-bromo-N-(3-bromo-4-methylphenyl)-5-fluorobenzamide
CID 63529818
N-(3-bromo-4-methylphenyl)-3,5-dihydroxybenzamide
CID 107703359
2-bromo-N-(3-hydroxy-4-methylphenyl)benzamide
CID 837189
N-(3-hydroxy-4-methylphenyl)-4-methoxybenzamide
CID 1228319
N-(3-hydroxy-4-methylphenyl)-1-methyl-2-oxopyridine-4-carboxamide
CID 103772619

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-bromo-N-(3-hydroxy-4-methylphenyl)benzamide?
The IUPAC name of 3-amino-5-bromo-N-(3-hydroxy-4-methylphenyl)benzamide (CID 107699369) is 3-amino-5-bromo-N-(3-hydroxy-4-methylphenyl)benzamide.
What is the SMILES notation for 3-amino-5-bromo-N-(3-hydroxy-4-methylphenyl)benzamide?
The canonical SMILES for 3-amino-5-bromo-N-(3-hydroxy-4-methylphenyl)benzamide is Cc1ccc(NC(=O)c2cc(N)cc(Br)c2)cc1O.
What is the InChIKey of 3-amino-5-bromo-N-(3-hydroxy-4-methylphenyl)benzamide?
The InChIKey is HZQVYIJGRMRGCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O2/c1-8-2-3-12(7-13(8)18)17-14(19)9-4-10(15)6-11(16)5-9/h2-7,18H,16H2,1H3,(H,17,19).
What are the key properties of 3-amino-5-bromo-N-(3-hydroxy-4-methylphenyl)benzamide?
3-amino-5-bromo-N-(3-hydroxy-4-methylphenyl)benzamide has a molecular weight of 321.17 g/mol, XLogP of 3.30, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-bromo-N-(3-hydroxy-4-methylphenyl)benzamide is sourced from PubChem (CID 107699369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).