4-acetyl-3-aminobenzamide

C9H10N2O2 — CID 171538072

IUPAC4-acetyl-3-aminobenzamide
SMILESCC(=O)c1ccc(C(N)=O)cc1N
InChIInChI=1S/C9H10N2O2/c1-5(12)7-3-2-6(9(11)13)4-8(7)10/h2-4H,10H2,1H3,(H2,11,13)
InChIKeySGOWOXZDDHRXAR-UHFFFAOYSA-N
MW178.19 g/mol
LogP0.57
Rot. Bonds2

About 4-acetyl-3-aminobenzamide

4-acetyl-3-aminobenzamide (PubChem CID 171538072) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is 4-acetyl-3-aminobenzamide.

Molecular Properties

Compound Name4-acetyl-3-aminobenzamide
PubChem CID171538072
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC Name4-acetyl-3-aminobenzamide
SMILESCC(=O)c1ccc(C(N)=O)cc1N
InChIInChI=1S/C9H10N2O2/c1-5(12)7-3-2-6(9(11)13)4-8(7)10/h2-4H,10H2,1H3,(H2,11,13)
InChIKeySGOWOXZDDHRXAR-UHFFFAOYSA-N
XLogP0.57
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 50.57
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

3,4-diacetylbenzamide
CID 70447380
3-amino-4-ethylbenzamide
CID 19977641
2-amino-4-(2-aminoacetyl)benzamide
CID 150043769
2-amino-4-ethanethioylbenzoic acid
CID 174647999
1-(2,4,5-triaminophenyl)ethanone
CID 163413679
1-[2-amino-4-(3-fluoroanilino)phenyl]ethanone
CID 104528314
1-[2-amino-4-(3,5-dimethylanilino)phenyl]ethanone
CID 104528323
benzene-1,2-diamine;benzene-1,3,5-tricarboxamide
CID 67830844
1-(2-amino-4-propan-2-ylsulfanylphenyl)ethanone
CID 104529443
3-amino-4-(ethylamino)benzamide
CID 43448330
1-[2-amino-4-(3-aminophenyl)phenyl]ethanone
CID 68790050
2-phosphanylbenzene-1,4-dicarboxamide
CID 174651487

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-3-aminobenzamide?
The IUPAC name of 4-acetyl-3-aminobenzamide (CID 171538072) is 4-acetyl-3-aminobenzamide.
What is the SMILES notation for 4-acetyl-3-aminobenzamide?
The canonical SMILES for 4-acetyl-3-aminobenzamide is CC(=O)c1ccc(C(N)=O)cc1N.
What is the InChIKey of 4-acetyl-3-aminobenzamide?
The InChIKey is SGOWOXZDDHRXAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2/c1-5(12)7-3-2-6(9(11)13)4-8(7)10/h2-4H,10H2,1H3,(H2,11,13).
What are the key properties of 4-acetyl-3-aminobenzamide?
4-acetyl-3-aminobenzamide has a molecular weight of 178.19 g/mol, XLogP of 0.57, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-3-aminobenzamide is sourced from PubChem (CID 171538072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).