3-amino-2-methoxybenzamide

C8H10N2O2 — CID 22163036

IUPAC3-amino-2-methoxybenzamide
SMILESCOc1c(N)cccc1C(N)=O
InChIInChI=1S/C8H10N2O2/c1-12-7-5(8(10)11)3-2-4-6(7)9/h2-4H,9H2,1H3,(H2,10,11)
InChIKeyNUSLOKIITLKOIK-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.38
Rot. Bonds2

About 3-amino-2-methoxybenzamide

3-amino-2-methoxybenzamide (PubChem CID 22163036) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is 3-amino-2-methoxybenzamide.

Molecular Properties

Compound Name3-amino-2-methoxybenzamide
PubChem CID22163036
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name3-amino-2-methoxybenzamide
SMILESCOc1c(N)cccc1C(N)=O
InChIInChI=1S/C8H10N2O2/c1-12-7-5(8(10)11)3-2-4-6(7)9/h2-4H,9H2,1H3,(H2,10,11)
InChIKeyNUSLOKIITLKOIK-UHFFFAOYSA-N
XLogP0.38
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methoxybenzamide?
The IUPAC name of 3-amino-2-methoxybenzamide (CID 22163036) is 3-amino-2-methoxybenzamide.
What is the SMILES notation for 3-amino-2-methoxybenzamide?
The canonical SMILES for 3-amino-2-methoxybenzamide is COc1c(N)cccc1C(N)=O.
What is the InChIKey of 3-amino-2-methoxybenzamide?
The InChIKey is NUSLOKIITLKOIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c1-12-7-5(8(10)11)3-2-4-6(7)9/h2-4H,9H2,1H3,(H2,10,11).
What are the key properties of 3-amino-2-methoxybenzamide?
3-amino-2-methoxybenzamide has a molecular weight of 166.18 g/mol, XLogP of 0.38, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methoxybenzamide is sourced from PubChem (CID 22163036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).