4-amino-3-methyl-N-oxobenzamide

C8H8N2O2 — CID 89119624

IUPAC4-amino-3-methyl-N-oxobenzamide
SMILESCc1cc(C(=O)N=O)ccc1N
InChIInChI=1S/C8H8N2O2/c1-5-4-6(8(11)10-12)2-3-7(5)9/h2-4H,9H2,1H3
InChIKeyMHGJXKLMMXNQTQ-UHFFFAOYSA-N
MW164.16 g/mol
LogP1.48
Rot. Bonds1

About 4-amino-3-methyl-N-oxobenzamide

4-amino-3-methyl-N-oxobenzamide (PubChem CID 89119624) has the molecular formula C8H8N2O2 and a molecular weight of 164.16 g/mol. Its IUPAC name is 4-amino-3-methyl-N-oxobenzamide.

Molecular Properties

Compound Name4-amino-3-methyl-N-oxobenzamide
PubChem CID89119624
Molecular FormulaC8H8N2O2
Molecular Weight164.16 g/mol
Exact Mass164.06
IUPAC Name4-amino-3-methyl-N-oxobenzamide
SMILESCc1cc(C(=O)N=O)ccc1N
InChIInChI=1S/C8H8N2O2/c1-5-4-6(8(11)10-12)2-3-7(5)9/h2-4H,9H2,1H3
InChIKeyMHGJXKLMMXNQTQ-UHFFFAOYSA-N
XLogP1.48
TPSA72.52 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.16
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-fluoro-4-methyl-N-oxobenzamide
CID 126760596
1-(4-amino-3-methylphenyl)prop-2-en-1-one
CID 116553934
1-(4-amino-3-methylphenyl)-2-chloropropan-1-one
CID 118832418
4-amino-3-hydroxybenzoic acid;4-amino-3-methylbenzoic acid
CID 70365810
(4-amino-3-methylphenyl)-(4-phenylphenyl)methanone
CID 91678510
(4-amino-3-methylphenyl)-(5-methylfuran-3-yl)methanone
CID 114823601
4-(4-amino-3-methylphenyl)benzoic acid
CID 23005198
[1-(4-amino-3-methylphenyl)propylideneamino]urea
CID 130155098
1-(4-amino-3-methylphenyl)-2-methylsulfonylpropan-1-one
CID 104522550
1-(4-amino-3-methylphenyl)-2-(2,6-dimethylphenyl)ethanone
CID 116553942
(2R)-2-[(4-amino-3-methylbenzoyl)amino]propanoic acid
CID 78972566
4-amino-3-methyl-N-(2,4,6-tribromophenyl)benzamide
CID 28991635

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methyl-N-oxobenzamide?
The IUPAC name of 4-amino-3-methyl-N-oxobenzamide (CID 89119624) is 4-amino-3-methyl-N-oxobenzamide.
What is the SMILES notation for 4-amino-3-methyl-N-oxobenzamide?
The canonical SMILES for 4-amino-3-methyl-N-oxobenzamide is Cc1cc(C(=O)N=O)ccc1N.
What is the InChIKey of 4-amino-3-methyl-N-oxobenzamide?
The InChIKey is MHGJXKLMMXNQTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O2/c1-5-4-6(8(11)10-12)2-3-7(5)9/h2-4H,9H2,1H3.
What are the key properties of 4-amino-3-methyl-N-oxobenzamide?
4-amino-3-methyl-N-oxobenzamide has a molecular weight of 164.16 g/mol, XLogP of 1.48, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methyl-N-oxobenzamide is sourced from PubChem (CID 89119624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).