3-amino-N-(3-amino-4-hydroxyphenyl)-4-(2-hydroxyphenyl)benzamide

C19H17N3O3 — CID 118519914

IUPAC3-amino-N-(3-amino-4-hydroxyphenyl)-4-(2-hydroxyphenyl)benzamide
SMILESNc1cc(NC(=O)c2ccc(-c3ccccc3O)c(N)c2)ccc1O
InChIInChI=1S/C19H17N3O3/c20-15-9-11(5-7-13(15)14-3-1-2-4-17(14)23)19(25)22-12-6-8-18(24)16(21)10-12/h1-10,23-24H,20-21H2,(H,22,25)
InChIKeySGWOGTIWTVCBHI-UHFFFAOYSA-N
MW335.36 g/mol
LogP3.18
Rot. Bonds3

About 3-amino-N-(3-amino-4-hydroxyphenyl)-4-(2-hydroxyphenyl)benzamide

3-amino-N-(3-amino-4-hydroxyphenyl)-4-(2-hydroxyphenyl)benzamide (PubChem CID 118519914) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is 3-amino-N-(3-amino-4-hydroxyphenyl)-4-(2-hydroxyphenyl)benzamide.

Molecular Properties

Compound Name3-amino-N-(3-amino-4-hydroxyphenyl)-4-(2-hydroxyphenyl)benzamide
PubChem CID118519914
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC Name3-amino-N-(3-amino-4-hydroxyphenyl)-4-(2-hydroxyphenyl)benzamide
SMILESNc1cc(NC(=O)c2ccc(-c3ccccc3O)c(N)c2)ccc1O
InChIInChI=1S/C19H17N3O3/c20-15-9-11(5-7-13(15)14-3-1-2-4-17(14)23)19(25)22-12-6-8-18(24)16(21)10-12/h1-10,23-24H,20-21H2,(H,22,25)
InChIKeySGWOGTIWTVCBHI-UHFFFAOYSA-N
XLogP3.18
TPSA121.60 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 53.18
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
3-amino-N-(3,4-dimethylphenyl)-4-hydroxybenzamide
CID 66965766
N-[4-(3-amino-4-hydroxyanilino)-3-hydroxyphenyl]benzamide
CID 118519925
3-amino-4-bromo-N-(3-hydroxyphenyl)benzamide
CID 61166318
N-(9,10-dioxoanthracen-2-yl)-9,10-dioxoanthracene-2-carboxamide
CID 122363971
3-amino-4-hydroxybenzohydrazide;dihydrochloride
CID 22411252
N-(3-amino-4-fluorophenyl)-4-hydroxy-3-methylbenzamide
CID 107672026
3-amino-4-bromo-N-naphthalen-2-ylbenzamide
CID 61116894
4-amino-N-(3,4-dichlorophenyl)-3-hydroxybenzamide
CID 107073884
3-amino-4-bromo-N-(3-bromophenyl)benzamide
CID 61091693
4-amino-N-(3-hydroxyphenyl)-3-methylbenzamide
CID 61167676
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-(2-hydroxyphenyl)benzamide?
The IUPAC name of 3-amino-N-(3-amino-4-hydroxyphenyl)-4-(2-hydroxyphenyl)benzamide (CID 118519914) is 3-amino-N-(3-amino-4-hydroxyphenyl)-4-(2-hydroxyphenyl)benzamide.
What is the SMILES notation for 3-amino-N-(3-amino-4-hydroxyphenyl)-4-(2-hydroxyphenyl)benzamide?
The canonical SMILES for 3-amino-N-(3-amino-4-hydroxyphenyl)-4-(2-hydroxyphenyl)benzamide is Nc1cc(NC(=O)c2ccc(-c3ccccc3O)c(N)c2)ccc1O.
What is the InChIKey of 3-amino-N-(3-amino-4-hydroxyphenyl)-4-(2-hydroxyphenyl)benzamide?
The InChIKey is SGWOGTIWTVCBHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3/c20-15-9-11(5-7-13(15)14-3-1-2-4-17(14)23)19(25)22-12-6-8-18(24)16(21)10-12/h1-10,23-24H,20-21H2,(H,22,25).
What are the key properties of 3-amino-N-(3-amino-4-hydroxyphenyl)-4-(2-hydroxyphenyl)benzamide?
3-amino-N-(3-amino-4-hydroxyphenyl)-4-(2-hydroxyphenyl)benzamide has a molecular weight of 335.36 g/mol, XLogP of 3.18, 3 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-(2-hydroxyphenyl)benzamide is sourced from PubChem (CID 118519914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).