4-amino-N-(4,5-diamino-2-hydroxyphenyl)benzamide

C13H14N4O2 — CID 134359397

IUPAC4-amino-N-(4,5-diamino-2-hydroxyphenyl)benzamide
SMILESNc1ccc(C(=O)Nc2cc(N)c(N)cc2O)cc1
InChIInChI=1S/C13H14N4O2/c14-8-3-1-7(2-4-8)13(19)17-11-5-9(15)10(16)6-12(11)18/h1-6,18H,14-16H2,(H,17,19)
InChIKeyGANIJJFHLKPWQX-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.39
Rot. Bonds2

About 4-amino-N-(4,5-diamino-2-hydroxyphenyl)benzamide

4-amino-N-(4,5-diamino-2-hydroxyphenyl)benzamide (PubChem CID 134359397) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is 4-amino-N-(4,5-diamino-2-hydroxyphenyl)benzamide.

Molecular Properties

Compound Name4-amino-N-(4,5-diamino-2-hydroxyphenyl)benzamide
PubChem CID134359397
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC Name4-amino-N-(4,5-diamino-2-hydroxyphenyl)benzamide
SMILESNc1ccc(C(=O)Nc2cc(N)c(N)cc2O)cc1
InChIInChI=1S/C13H14N4O2/c14-8-3-1-7(2-4-8)13(19)17-11-5-9(15)10(16)6-12(11)18/h1-6,18H,14-16H2,(H,17,19)
InChIKeyGANIJJFHLKPWQX-UHFFFAOYSA-N
XLogP1.39
TPSA127.39 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.39
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-[4-[4-[(4-aminobenzoyl)amino]-3-hydroxyphenyl]-2-hydroxyphenyl]benzamide
CID 18986447
N-(4-amino-2,5-dihydroxyphenyl)benzamide
CID 21114775
N-(4-amino-2-hydroxyphenyl)-4-chlorobenzamide
CID 3264738
4-amino-N-(4-amino-2-chlorophenyl)benzamide
CID 577458
4-amino-N-[5-(1,1,2,2,3,3-hexafluoropropyl)-2-hydroxyphenyl]benzamide
CID 175048386
4-amino-N-(2,4-dimethylphenyl)benzamide
CID 835597
N-(2,4-dihydroxyphenyl)-4-hydroxybenzamide
CID 171363826
4-amino-N-(2-bromo-4-sulfamoylphenyl)benzamide
CID 43711286
N-(5-acetamido-2,4-dihydroxyphenyl)-4-acetylbenzamide
CID 58798079
N-(5-amino-2,4-dimethylphenyl)-4-hydroxybenzamide
CID 104757000
N-(5-amino-2-methylphenyl)-4-hydroxybenzamide
CID 22291140
4-amino-N-(4-fluoro-2-methylphenyl)benzamide
CID 16781461

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4,5-diamino-2-hydroxyphenyl)benzamide?
The IUPAC name of 4-amino-N-(4,5-diamino-2-hydroxyphenyl)benzamide (CID 134359397) is 4-amino-N-(4,5-diamino-2-hydroxyphenyl)benzamide.
What is the SMILES notation for 4-amino-N-(4,5-diamino-2-hydroxyphenyl)benzamide?
The canonical SMILES for 4-amino-N-(4,5-diamino-2-hydroxyphenyl)benzamide is Nc1ccc(C(=O)Nc2cc(N)c(N)cc2O)cc1.
What is the InChIKey of 4-amino-N-(4,5-diamino-2-hydroxyphenyl)benzamide?
The InChIKey is GANIJJFHLKPWQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c14-8-3-1-7(2-4-8)13(19)17-11-5-9(15)10(16)6-12(11)18/h1-6,18H,14-16H2,(H,17,19).
What are the key properties of 4-amino-N-(4,5-diamino-2-hydroxyphenyl)benzamide?
4-amino-N-(4,5-diamino-2-hydroxyphenyl)benzamide has a molecular weight of 258.28 g/mol, XLogP of 1.39, 2 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4,5-diamino-2-hydroxyphenyl)benzamide is sourced from PubChem (CID 134359397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).