3-amino-4-hydroxybenzamide

C7H8N2O2 — CID 22411224

IUPAC3-amino-4-hydroxybenzamide
SMILESNC(=O)c1ccc(O)c(N)c1
InChIInChI=1S/C7H8N2O2/c8-5-3-4(7(9)11)1-2-6(5)10/h1-3,10H,8H2,(H2,9,11)
InChIKeyKHFJTHCIQARPKD-UHFFFAOYSA-N
MW152.15 g/mol
LogP0.07
Rot. Bonds1

About 3-amino-4-hydroxybenzamide

3-amino-4-hydroxybenzamide (PubChem CID 22411224) has the molecular formula C7H8N2O2 and a molecular weight of 152.15 g/mol. Its IUPAC name is 3-amino-4-hydroxybenzamide.

Molecular Properties

Compound Name3-amino-4-hydroxybenzamide
PubChem CID22411224
Molecular FormulaC7H8N2O2
Molecular Weight152.15 g/mol
Exact Mass152.06
IUPAC Name3-amino-4-hydroxybenzamide
SMILESNC(=O)c1ccc(O)c(N)c1
InChIInChI=1S/C7H8N2O2/c8-5-3-4(7(9)11)1-2-6(5)10/h1-3,10H,8H2,(H2,9,11)
InChIKeyKHFJTHCIQARPKD-UHFFFAOYSA-N
XLogP0.07
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.15
LogP ≤ 50.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-hydroxybenzamide?
The IUPAC name of 3-amino-4-hydroxybenzamide (CID 22411224) is 3-amino-4-hydroxybenzamide.
What is the SMILES notation for 3-amino-4-hydroxybenzamide?
The canonical SMILES for 3-amino-4-hydroxybenzamide is NC(=O)c1ccc(O)c(N)c1.
What is the InChIKey of 3-amino-4-hydroxybenzamide?
The InChIKey is KHFJTHCIQARPKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O2/c8-5-3-4(7(9)11)1-2-6(5)10/h1-3,10H,8H2,(H2,9,11).
What are the key properties of 3-amino-4-hydroxybenzamide?
3-amino-4-hydroxybenzamide has a molecular weight of 152.15 g/mol, XLogP of 0.07, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-hydroxybenzamide is sourced from PubChem (CID 22411224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).