4-[(5-amino-2-hydroxyphenyl)methylamino]-2-bromobenzamide

C14H14BrN3O2 — CID 107281125

IUPAC4-[(5-amino-2-hydroxyphenyl)methylamino]-2-bromobenzamide
SMILESNC(=O)c1ccc(NCc2cc(N)ccc2O)cc1Br
InChIInChI=1S/C14H14BrN3O2/c15-12-6-10(2-3-11(12)14(17)20)18-7-8-5-9(16)1-4-13(8)19/h1-6,18-19H,7,16H2,(H2,17,20)
InChIKeyJTUCDXOOJIHHCC-UHFFFAOYSA-N
MW336.19 g/mol
LogP2.45
Rot. Bonds4

About 4-[(5-amino-2-hydroxyphenyl)methylamino]-2-bromobenzamide

4-[(5-amino-2-hydroxyphenyl)methylamino]-2-bromobenzamide (PubChem CID 107281125) has the molecular formula C14H14BrN3O2 and a molecular weight of 336.19 g/mol. Its IUPAC name is 4-[(5-amino-2-hydroxyphenyl)methylamino]-2-bromobenzamide.

Molecular Properties

Compound Name4-[(5-amino-2-hydroxyphenyl)methylamino]-2-bromobenzamide
PubChem CID107281125
Molecular FormulaC14H14BrN3O2
Molecular Weight336.19 g/mol
Exact Mass335.03
IUPAC Name4-[(5-amino-2-hydroxyphenyl)methylamino]-2-bromobenzamide
SMILESNC(=O)c1ccc(NCc2cc(N)ccc2O)cc1Br
InChIInChI=1S/C14H14BrN3O2/c15-12-6-10(2-3-11(12)14(17)20)18-7-8-5-9(16)1-4-13(8)19/h1-6,18-19H,7,16H2,(H2,17,20)
InChIKeyJTUCDXOOJIHHCC-UHFFFAOYSA-N
XLogP2.45
TPSA101.37 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.19
LogP ≤ 52.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

4-[(4-aminophenyl)methylamino]-2-bromobenzamide
CID 107280913
4-[(5-amino-2-hydroxyphenyl)methylamino]benzamide
CID 60874735
2-chloro-4-[(2-hydroxyphenyl)methylamino]benzamide
CID 43736451
4-amino-2-[(3,4-dimethylanilino)methyl]phenol
CID 18533660
3-(3-bromo-4-carbamoylanilino)propanoic acid
CID 107275324
N-[(5-amino-2-hydroxyphenyl)methyl]-2-bromofuran-3-carboxamide
CID 106850782
N-[(5-amino-2-hydroxyphenyl)methyl]-4-bromobenzamide
CID 43548733
N-[(5-amino-2-hydroxyphenyl)methyl]-2-hydroxybenzamide
CID 43548729
2-[(5-amino-2-hydroxyphenyl)methylamino]-6-bromobenzonitrile
CID 114887473
2-bromo-4-[2-(cyclopropylamino)ethylamino]benzamide
CID 107280649
4-amino-2-[[4-amino-2-(2-hydroxyethyl)anilino]methyl]phenol
CID 23437250
4-(3-bromo-4-carbamoylanilino)-2-methylbutanoic acid
CID 107275586

Frequently Asked Questions

What is the IUPAC name of 4-[(5-amino-2-hydroxyphenyl)methylamino]-2-bromobenzamide?
The IUPAC name of 4-[(5-amino-2-hydroxyphenyl)methylamino]-2-bromobenzamide (CID 107281125) is 4-[(5-amino-2-hydroxyphenyl)methylamino]-2-bromobenzamide.
What is the SMILES notation for 4-[(5-amino-2-hydroxyphenyl)methylamino]-2-bromobenzamide?
The canonical SMILES for 4-[(5-amino-2-hydroxyphenyl)methylamino]-2-bromobenzamide is NC(=O)c1ccc(NCc2cc(N)ccc2O)cc1Br.
What is the InChIKey of 4-[(5-amino-2-hydroxyphenyl)methylamino]-2-bromobenzamide?
The InChIKey is JTUCDXOOJIHHCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O2/c15-12-6-10(2-3-11(12)14(17)20)18-7-8-5-9(16)1-4-13(8)19/h1-6,18-19H,7,16H2,(H2,17,20).
What are the key properties of 4-[(5-amino-2-hydroxyphenyl)methylamino]-2-bromobenzamide?
4-[(5-amino-2-hydroxyphenyl)methylamino]-2-bromobenzamide has a molecular weight of 336.19 g/mol, XLogP of 2.45, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-amino-2-hydroxyphenyl)methylamino]-2-bromobenzamide is sourced from PubChem (CID 107281125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).