3-Amino-4-methoxybenzamide

C8H10N2O2 — CID 87135

IUPAC3-amino-4-methoxybenzamide
SMILESCOC1=C(C=C(C=C1)C(=O)N)N
InChIInChI=1S/C8H10N2O2/c1-12-7-3-2-5(8(10)11)4-6(7)9/h2-4H,9H2,1H3,(H2,10,11)
InChIKeyINCJNDAQNPWMPZ-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.10
Rot. Bonds2

About 3-Amino-4-methoxybenzamide

3-Amino-4-methoxybenzamide (PubChem CID 87135) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is 3-amino-4-methoxybenzamide.

Molecular Properties

Compound Name3-Amino-4-methoxybenzamide
PubChem CID87135
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name3-amino-4-methoxybenzamide
SMILESCOC1=C(C=C(C=C1)C(=O)N)N
InChIInChI=1S/C8H10N2O2/c1-12-7-3-2-5(8(10)11)4-6(7)9/h2-4H,9H2,1H3,(H2,10,11)
InChIKeyINCJNDAQNPWMPZ-UHFFFAOYSA-N
XLogP0.10
TPSA78.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity172

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-Methoxybenzamide
CID 76959
4-methoxy-3-nitro-N-phenylbenzamide
CID 7331
3-Amino-4-methoxybenzanilide
CID 8426
4-Methoxy-N-(3-methylphenyl)benzamide
CID 346046
Benzoic acid, 4-methoxy-, 2-phenylhydrazide
CID 27022
Benzamide, 4-methoxy-3-nitro-
CID 82603
4-methoxy-N-phenylbenzamide
CID 346037
2-Methoxy-5-acetylaniline
CID 233283
2',4-Dimethoxybenzanilide
CID 346050
N-(3-acetylphenyl)-4-methoxybenzamide
CID 773486
3-Amino-4-methoxybenzoic acid
CID 17823
4-Methoxy-3-nitrobenzaldehyde
CID 700608

Frequently Asked Questions

What is the IUPAC name of 3-Amino-4-methoxybenzamide?
The IUPAC name of 3-Amino-4-methoxybenzamide (CID 87135) is 3-amino-4-methoxybenzamide.
What is the SMILES notation for 3-Amino-4-methoxybenzamide?
The canonical SMILES for 3-Amino-4-methoxybenzamide is COC1=C(C=C(C=C1)C(=O)N)N.
What is the InChIKey of 3-Amino-4-methoxybenzamide?
The InChIKey is INCJNDAQNPWMPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c1-12-7-3-2-5(8(10)11)4-6(7)9/h2-4H,9H2,1H3,(H2,10,11).
What are the key properties of 3-Amino-4-methoxybenzamide?
3-Amino-4-methoxybenzamide has a molecular weight of 166.18 g/mol, XLogP of 0.10, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-Amino-4-methoxybenzamide is sourced from PubChem (CID 87135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).