3-amino-N-(3-amino-4-hydroxyphenyl)-4-hydroxybenzamide

C13H13N3O3 — CID 142370763

IUPAC3-amino-N-(3-amino-4-hydroxyphenyl)-4-hydroxybenzamide
SMILESNc1cc(NC(=O)c2ccc(O)c(N)c2)ccc1O
InChIInChI=1S/C13H13N3O3/c14-9-5-7(1-3-11(9)17)13(19)16-8-2-4-12(18)10(15)6-8/h1-6,17-18H,14-15H2,(H,16,19)
InChIKeyREDUNSFLIFECIS-UHFFFAOYSA-N
MW259.27 g/mol
LogP1.51
Rot. Bonds2

About 3-amino-N-(3-amino-4-hydroxyphenyl)-4-hydroxybenzamide

3-amino-N-(3-amino-4-hydroxyphenyl)-4-hydroxybenzamide (PubChem CID 142370763) has the molecular formula C13H13N3O3 and a molecular weight of 259.27 g/mol. Its IUPAC name is 3-amino-N-(3-amino-4-hydroxyphenyl)-4-hydroxybenzamide.

Molecular Properties

Compound Name3-amino-N-(3-amino-4-hydroxyphenyl)-4-hydroxybenzamide
PubChem CID142370763
Molecular FormulaC13H13N3O3
Molecular Weight259.27 g/mol
Exact Mass259.10
IUPAC Name3-amino-N-(3-amino-4-hydroxyphenyl)-4-hydroxybenzamide
SMILESNc1cc(NC(=O)c2ccc(O)c(N)c2)ccc1O
InChIInChI=1S/C13H13N3O3/c14-9-5-7(1-3-11(9)17)13(19)16-8-2-4-12(18)10(15)6-8/h1-6,17-18H,14-15H2,(H,16,19)
InChIKeyREDUNSFLIFECIS-UHFFFAOYSA-N
XLogP1.51
TPSA121.60 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 51.51
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

3-amino-N-(3,4-dimethylphenyl)-4-hydroxybenzamide
CID 66965766
3-amino-N-(3-amino-4-hydroxyphenyl)-4-(2-hydroxyphenyl)benzamide
CID 118519914
3-amino-4-hydroxybenzohydrazide;dihydrochloride
CID 22411252
N-(3-amino-4-fluorophenyl)-4-hydroxy-3-methylbenzamide
CID 107672026
3-amino-4-bromo-N-(3-hydroxyphenyl)benzamide
CID 61166318
N-[4-(3-amino-4-hydroxyanilino)-3-hydroxyphenyl]benzamide
CID 118519925
4-amino-N-(3,4-dichlorophenyl)-3-hydroxybenzamide
CID 107073884
N-(3-amino-4-methylphenyl)-3-hydroxy-4-methoxybenzamide
CID 79726156
3-amino-4-hydroxybenzoic acid
CID 161134080
3-amino-4-bromo-N-(3-bromophenyl)benzamide
CID 61091693
3-amino-N-(3-iodo-4-methylphenyl)-4-methylbenzamide
CID 43707949
N-(4-amino-3-bromophenyl)-3-hydroxybenzamide
CID 82861483

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-amino-4-hydroxyphenyl)-4-hydroxybenzamide?
The IUPAC name of 3-amino-N-(3-amino-4-hydroxyphenyl)-4-hydroxybenzamide (CID 142370763) is 3-amino-N-(3-amino-4-hydroxyphenyl)-4-hydroxybenzamide.
What is the SMILES notation for 3-amino-N-(3-amino-4-hydroxyphenyl)-4-hydroxybenzamide?
The canonical SMILES for 3-amino-N-(3-amino-4-hydroxyphenyl)-4-hydroxybenzamide is Nc1cc(NC(=O)c2ccc(O)c(N)c2)ccc1O.
What is the InChIKey of 3-amino-N-(3-amino-4-hydroxyphenyl)-4-hydroxybenzamide?
The InChIKey is REDUNSFLIFECIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3/c14-9-5-7(1-3-11(9)17)13(19)16-8-2-4-12(18)10(15)6-8/h1-6,17-18H,14-15H2,(H,16,19).
What are the key properties of 3-amino-N-(3-amino-4-hydroxyphenyl)-4-hydroxybenzamide?
3-amino-N-(3-amino-4-hydroxyphenyl)-4-hydroxybenzamide has a molecular weight of 259.27 g/mol, XLogP of 1.51, 2 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-amino-4-hydroxyphenyl)-4-hydroxybenzamide is sourced from PubChem (CID 142370763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).