3-amino-2-hydroxy-4-methoxybenzamide

C8H10N2O3 — CID 71482612

IUPAC3-amino-2-hydroxy-4-methoxybenzamide
SMILESCOc1ccc(C(N)=O)c(O)c1N
InChIInChI=1S/C8H10N2O3/c1-13-5-3-2-4(8(10)12)7(11)6(5)9/h2-3,11H,9H2,1H3,(H2,10,12)
InChIKeyADSMKVUNHDDYBH-UHFFFAOYSA-N
MW182.18 g/mol
LogP0.08
Rot. Bonds2

About 3-amino-2-hydroxy-4-methoxybenzamide

3-amino-2-hydroxy-4-methoxybenzamide (PubChem CID 71482612) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is 3-amino-2-hydroxy-4-methoxybenzamide.

Molecular Properties

Compound Name3-amino-2-hydroxy-4-methoxybenzamide
PubChem CID71482612
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name3-amino-2-hydroxy-4-methoxybenzamide
SMILESCOc1ccc(C(N)=O)c(O)c1N
InChIInChI=1S/C8H10N2O3/c1-13-5-3-2-4(8(10)12)7(11)6(5)9/h2-3,11H,9H2,1H3,(H2,10,12)
InChIKeyADSMKVUNHDDYBH-UHFFFAOYSA-N
XLogP0.08
TPSA98.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-2-hydroxy-4-methoxybenzamide?
The IUPAC name of 3-amino-2-hydroxy-4-methoxybenzamide (CID 71482612) is 3-amino-2-hydroxy-4-methoxybenzamide.
What is the SMILES notation for 3-amino-2-hydroxy-4-methoxybenzamide?
The canonical SMILES for 3-amino-2-hydroxy-4-methoxybenzamide is COc1ccc(C(N)=O)c(O)c1N.
What is the InChIKey of 3-amino-2-hydroxy-4-methoxybenzamide?
The InChIKey is ADSMKVUNHDDYBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c1-13-5-3-2-4(8(10)12)7(11)6(5)9/h2-3,11H,9H2,1H3,(H2,10,12).
What are the key properties of 3-amino-2-hydroxy-4-methoxybenzamide?
3-amino-2-hydroxy-4-methoxybenzamide has a molecular weight of 182.18 g/mol, XLogP of 0.08, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-hydroxy-4-methoxybenzamide is sourced from PubChem (CID 71482612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).