4-amino-N-(2-oxoethyl)benzamide

C9H10N2O2 — CID 54395026

IUPAC4-amino-N-(2-oxoethyl)benzamide
SMILESNc1ccc(C(=O)NCC=O)cc1
InChIInChI=1S/C9H10N2O2/c10-8-3-1-7(2-4-8)9(13)11-5-6-12/h1-4,6H,5,10H2,(H,11,13)
InChIKeyKNPUJQXTQFTHMS-UHFFFAOYSA-N
MW178.19 g/mol
LogP0.20
Rot. Bonds3

About 4-amino-N-(2-oxoethyl)benzamide

4-amino-N-(2-oxoethyl)benzamide (PubChem CID 54395026) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is 4-amino-N-(2-oxoethyl)benzamide.

Molecular Properties

Compound Name4-amino-N-(2-oxoethyl)benzamide
PubChem CID54395026
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC Name4-amino-N-(2-oxoethyl)benzamide
SMILESNc1ccc(C(=O)NCC=O)cc1
InChIInChI=1S/C9H10N2O2/c10-8-3-1-7(2-4-8)9(13)11-5-6-12/h1-4,6H,5,10H2,(H,11,13)
InChIKeyKNPUJQXTQFTHMS-UHFFFAOYSA-N
XLogP0.20
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-[[(4-aminobenzoyl)amino]methyl]benzamide
CID 22949694
4-amino-N-(2-aminopropyl)benzamide
CID 130891998
4-amino-N-[2-(4-aminophenyl)ethyl]benzamide
CID 110483115
4-amino-N-(2-methylbutyl)benzamide
CID 22242294
4-amino-N-[2-[(4-aminobenzoyl)amino]propyl]benzamide
CID 3100251
4-amino-N-[2-[2-(carbamoylamino)ethylamino]-2-oxoethyl]benzamide
CID 83111327
4-amino-N-(2-hydroxyethyl)benzamide;ethane;molecular hydrogen
CID 156799285
1-methyl-N-(2-oxoethyl)pyrrole-3-carboxamide
CID 154668563
N-[2-[(4-aminobenzoyl)amino]ethyl]pyridine-3-carboxamide
CID 108924536
CID 149308165
CID 149308165
1-N,4-N-bis(but-2-enyl)benzene-1,4-dicarboxamide
CID 54039627
N-prop-2-enyl-4-[4-(prop-2-enylcarbamoyl)phenyl]benzamide
CID 3714314

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-oxoethyl)benzamide?
The IUPAC name of 4-amino-N-(2-oxoethyl)benzamide (CID 54395026) is 4-amino-N-(2-oxoethyl)benzamide.
What is the SMILES notation for 4-amino-N-(2-oxoethyl)benzamide?
The canonical SMILES for 4-amino-N-(2-oxoethyl)benzamide is Nc1ccc(C(=O)NCC=O)cc1.
What is the InChIKey of 4-amino-N-(2-oxoethyl)benzamide?
The InChIKey is KNPUJQXTQFTHMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2/c10-8-3-1-7(2-4-8)9(13)11-5-6-12/h1-4,6H,5,10H2,(H,11,13).
What are the key properties of 4-amino-N-(2-oxoethyl)benzamide?
4-amino-N-(2-oxoethyl)benzamide has a molecular weight of 178.19 g/mol, XLogP of 0.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-oxoethyl)benzamide is sourced from PubChem (CID 54395026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).