N-[4-(3-amino-4-hydroxyanilino)-3-hydroxyphenyl]benzamide

C19H17N3O3 — CID 118519925

IUPACN-[4-(3-amino-4-hydroxyanilino)-3-hydroxyphenyl]benzamide
SMILESNc1cc(Nc2ccc(NC(=O)c3ccccc3)cc2O)ccc1O
InChIInChI=1S/C19H17N3O3/c20-15-10-13(7-9-17(15)23)21-16-8-6-14(11-18(16)24)22-19(25)12-4-2-1-3-5-12/h1-11,21,23-24H,20H2,(H,22,25)
InChIKeySTTXKDMXCQHCNO-UHFFFAOYSA-N
MW335.36 g/mol
LogP3.68
Rot. Bonds4

About N-[4-(3-amino-4-hydroxyanilino)-3-hydroxyphenyl]benzamide

N-[4-(3-amino-4-hydroxyanilino)-3-hydroxyphenyl]benzamide (PubChem CID 118519925) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is N-[4-(3-amino-4-hydroxyanilino)-3-hydroxyphenyl]benzamide.

Molecular Properties

Compound NameN-[4-(3-amino-4-hydroxyanilino)-3-hydroxyphenyl]benzamide
PubChem CID118519925
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC NameN-[4-(3-amino-4-hydroxyanilino)-3-hydroxyphenyl]benzamide
SMILESNc1cc(Nc2ccc(NC(=O)c3ccccc3)cc2O)ccc1O
InChIInChI=1S/C19H17N3O3/c20-15-10-13(7-9-17(15)23)21-16-8-6-14(11-18(16)24)22-19(25)12-4-2-1-3-5-12/h1-11,21,23-24H,20H2,(H,22,25)
InChIKeySTTXKDMXCQHCNO-UHFFFAOYSA-N
XLogP3.68
TPSA107.61 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 53.68
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-amino-4-hydroxyphenyl)-4-hydroxybenzamide
CID 142370763
N-(4-amino-2,5-dihydroxyphenyl)benzamide
CID 21114775
3-amino-N-(3-amino-4-hydroxyphenyl)-4-(2-hydroxyphenyl)benzamide
CID 118519914
calcium 4-benzamido-2-hydroxybenzoic acid
CID 54607902
4-benzamidosalicylic acid, calcium salt
CID 126959845
calcium;4-benzamido-2-hydroxybenzoic acid;hydride
CID 173372748
methyl 2-amino-4-benzamidobenzoate
CID 23466425
N-(3-amino-4-nitrophenyl)benzamide
CID 3685591
N-(3-dimethylphosphoryl-4-hydroxyphenyl)benzamide
CID 18684485
N-(3-amino-4-methoxyphenyl)benzamide;molecular nitrogen
CID 174994775
N-[4-(cyclohexanecarbonylamino)-2-hydroxyphenyl]benzamide
CID 17363024
N-[4-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl]benzamide
CID 21486214

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-amino-4-hydroxyanilino)-3-hydroxyphenyl]benzamide?
The IUPAC name of N-[4-(3-amino-4-hydroxyanilino)-3-hydroxyphenyl]benzamide (CID 118519925) is N-[4-(3-amino-4-hydroxyanilino)-3-hydroxyphenyl]benzamide.
What is the SMILES notation for N-[4-(3-amino-4-hydroxyanilino)-3-hydroxyphenyl]benzamide?
The canonical SMILES for N-[4-(3-amino-4-hydroxyanilino)-3-hydroxyphenyl]benzamide is Nc1cc(Nc2ccc(NC(=O)c3ccccc3)cc2O)ccc1O.
What is the InChIKey of N-[4-(3-amino-4-hydroxyanilino)-3-hydroxyphenyl]benzamide?
The InChIKey is STTXKDMXCQHCNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3/c20-15-10-13(7-9-17(15)23)21-16-8-6-14(11-18(16)24)22-19(25)12-4-2-1-3-5-12/h1-11,21,23-24H,20H2,(H,22,25).
What are the key properties of N-[4-(3-amino-4-hydroxyanilino)-3-hydroxyphenyl]benzamide?
N-[4-(3-amino-4-hydroxyanilino)-3-hydroxyphenyl]benzamide has a molecular weight of 335.36 g/mol, XLogP of 3.68, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-amino-4-hydroxyanilino)-3-hydroxyphenyl]benzamide is sourced from PubChem (CID 118519925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).