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

C14H15N3O2 — CID 60874735

IUPAC4-[(5-amino-2-hydroxyphenyl)methylamino]benzamide
SMILESNC(=O)c1ccc(NCc2cc(N)ccc2O)cc1
InChIInChI=1S/C14H15N3O2/c15-11-3-6-13(18)10(7-11)8-17-12-4-1-9(2-5-12)14(16)19/h1-7,17-18H,8,15H2,(H2,16,19)
InChIKeyNPMJIRNWWGVTEG-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.69
Rot. Bonds4

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

4-[(5-amino-2-hydroxyphenyl)methylamino]benzamide (PubChem CID 60874735) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 4-[(5-amino-2-hydroxyphenyl)methylamino]benzamide.

Molecular Properties

Compound Name4-[(5-amino-2-hydroxyphenyl)methylamino]benzamide
PubChem CID60874735
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name4-[(5-amino-2-hydroxyphenyl)methylamino]benzamide
SMILESNC(=O)c1ccc(NCc2cc(N)ccc2O)cc1
InChIInChI=1S/C14H15N3O2/c15-11-3-6-13(18)10(7-11)8-17-12-4-1-9(2-5-12)14(16)19/h1-7,17-18H,8,15H2,(H2,16,19)
InChIKeyNPMJIRNWWGVTEG-UHFFFAOYSA-N
XLogP1.69
TPSA101.37 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.69
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-[(2-hydroxy-5-methoxyphenyl)methylamino]benzamide
CID 28614468
4-[(5-amino-2-hydroxyphenyl)methylamino]-2-bromobenzamide
CID 107281125
4-amino-2-[(3,4-dimethylanilino)methyl]phenol
CID 18533660
3-[(2-hydroxyphenyl)methylamino]benzamide
CID 28650539
4-[(5-bromo-2-hydroxyphenyl)methylamino]benzoic acid
CID 70545209
4-[(2-bromo-4-fluorophenyl)methylamino]benzamide
CID 28576301
N-[(5-amino-2-hydroxyphenyl)methyl]-4-bromobenzamide
CID 43548733
4-amino-2-[[3-(methoxymethyl)anilino]methyl]phenol
CID 70009939
4-[(2-fluoro-5-methylphenyl)methylamino]benzamide
CID 103830288
4-[(1,2,5-trimethylpyrrol-3-yl)methylamino]benzamide
CID 62474919
methyl 4-[(2-hydroxy-5-methylphenyl)methylamino]benzoate
CID 63326548
4-[(4-bromo-2-fluorophenyl)methylamino]benzamide
CID 43242985

Frequently Asked Questions

What is the IUPAC name of 4-[(5-amino-2-hydroxyphenyl)methylamino]benzamide?
The IUPAC name of 4-[(5-amino-2-hydroxyphenyl)methylamino]benzamide (CID 60874735) is 4-[(5-amino-2-hydroxyphenyl)methylamino]benzamide.
What is the SMILES notation for 4-[(5-amino-2-hydroxyphenyl)methylamino]benzamide?
The canonical SMILES for 4-[(5-amino-2-hydroxyphenyl)methylamino]benzamide is NC(=O)c1ccc(NCc2cc(N)ccc2O)cc1.
What is the InChIKey of 4-[(5-amino-2-hydroxyphenyl)methylamino]benzamide?
The InChIKey is NPMJIRNWWGVTEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c15-11-3-6-13(18)10(7-11)8-17-12-4-1-9(2-5-12)14(16)19/h1-7,17-18H,8,15H2,(H2,16,19).
What are the key properties of 4-[(5-amino-2-hydroxyphenyl)methylamino]benzamide?
4-[(5-amino-2-hydroxyphenyl)methylamino]benzamide has a molecular weight of 257.29 g/mol, XLogP of 1.69, 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]benzamide is sourced from PubChem (CID 60874735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).