2-amino-4-[3-amino-4-(hydroxycarbamoyl)phenyl]-N-hydroxybenzamide

C14H14N4O4 — CID 167363530

IUPAC2-amino-4-[3-amino-4-(hydroxycarbamoyl)phenyl]-N-hydroxybenzamide
SMILESNc1cc(-c2ccc(C(=O)NO)c(N)c2)ccc1C(=O)NO
InChIInChI=1S/C14H14N4O4/c15-11-5-7(1-3-9(11)13(19)17-21)8-2-4-10(12(16)6-8)14(20)18-22/h1-6,21-22H,15-16H2,(H,17,19)(H,18,20)
InChIKeyGCNAPOVNIZJPKT-UHFFFAOYSA-N
MW302.29 g/mol
LogP0.76
Rot. Bonds3

About 2-amino-4-[3-amino-4-(hydroxycarbamoyl)phenyl]-N-hydroxybenzamide

2-amino-4-[3-amino-4-(hydroxycarbamoyl)phenyl]-N-hydroxybenzamide (PubChem CID 167363530) has the molecular formula C14H14N4O4 and a molecular weight of 302.29 g/mol. Its IUPAC name is 2-amino-4-[3-amino-4-(hydroxycarbamoyl)phenyl]-N-hydroxybenzamide.

Molecular Properties

Compound Name2-amino-4-[3-amino-4-(hydroxycarbamoyl)phenyl]-N-hydroxybenzamide
PubChem CID167363530
Molecular FormulaC14H14N4O4
Molecular Weight302.29 g/mol
Exact Mass302.10
IUPAC Name2-amino-4-[3-amino-4-(hydroxycarbamoyl)phenyl]-N-hydroxybenzamide
SMILESNc1cc(-c2ccc(C(=O)NO)c(N)c2)ccc1C(=O)NO
InChIInChI=1S/C14H14N4O4/c15-11-5-7(1-3-9(11)13(19)17-21)8-2-4-10(12(16)6-8)14(20)18-22/h1-6,21-22H,15-16H2,(H,17,19)(H,18,20)
InChIKeyGCNAPOVNIZJPKT-UHFFFAOYSA-N
XLogP0.76
TPSA150.70 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.29
LogP ≤ 50.76
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-amino-4-[3-amino-4-(hydroxycarbamoyl)phenyl]-N-hydroxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-4-fluoro-N-hydroxybenzamide
CID 11593504
2-amino-N-hydroxy-4-methoxybenzamide
CID 115413301
2-amino-4-chlorobenzonitrile;2-amino-4-chloro-N-hydroxybenzamide
CID 158472386
2-amino-N-hydroxy-4,5-dimethoxybenzamide
CID 11535831
methyl 2-amino-4-phenylbenzoate
CID 53412316
N-hydroxy-2,5-diphenylbenzamide
CID 58121123
5-[(2-amino-4-pyrimidin-5-ylbenzoyl)amino]benzene-1,3-dicarboxylic acid
CID 169228612
1-[2-amino-4-(3-aminophenyl)phenyl]ethanone
CID 68790050
2-amino-4-nitrobenzohydrazide
CID 3575645
bis(2-amino-5-(4-amino-3-carboxyphenyl)benzoic acid);hydrate
CID 174768508
2-amino-4-bromo-N-methylsulfonylbenzamide
CID 103287307
5-(4-tert-butylphenyl)-2-chloro-N-hydroxybenzamide
CID 58663049

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[3-amino-4-(hydroxycarbamoyl)phenyl]-N-hydroxybenzamide?
The IUPAC name of 2-amino-4-[3-amino-4-(hydroxycarbamoyl)phenyl]-N-hydroxybenzamide (CID 167363530) is 2-amino-4-[3-amino-4-(hydroxycarbamoyl)phenyl]-N-hydroxybenzamide.
What is the SMILES notation for 2-amino-4-[3-amino-4-(hydroxycarbamoyl)phenyl]-N-hydroxybenzamide?
The canonical SMILES for 2-amino-4-[3-amino-4-(hydroxycarbamoyl)phenyl]-N-hydroxybenzamide is Nc1cc(-c2ccc(C(=O)NO)c(N)c2)ccc1C(=O)NO.
What is the InChIKey of 2-amino-4-[3-amino-4-(hydroxycarbamoyl)phenyl]-N-hydroxybenzamide?
The InChIKey is GCNAPOVNIZJPKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O4/c15-11-5-7(1-3-9(11)13(19)17-21)8-2-4-10(12(16)6-8)14(20)18-22/h1-6,21-22H,15-16H2,(H,17,19)(H,18,20).
What are the key properties of 2-amino-4-[3-amino-4-(hydroxycarbamoyl)phenyl]-N-hydroxybenzamide?
2-amino-4-[3-amino-4-(hydroxycarbamoyl)phenyl]-N-hydroxybenzamide has a molecular weight of 302.29 g/mol, XLogP of 0.76, 3 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[3-amino-4-(hydroxycarbamoyl)phenyl]-N-hydroxybenzamide is sourced from PubChem (CID 167363530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).