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

C9H11N3O2 — CID 16775093

IUPAC3-amino-N-(2-amino-2-oxoethyl)benzamide
SMILESNC(=O)CNC(=O)c1cccc(N)c1
InChIInChI=1S/C9H11N3O2/c10-7-3-1-2-6(4-7)9(14)12-5-8(11)13/h1-4H,5,10H2,(H2,11,13)(H,12,14)
InChIKeyBSPBJCYXCMMGBA-UHFFFAOYSA-N
MW193.21 g/mol
LogP-0.52
Rot. Bonds3

About 3-amino-N-(2-amino-2-oxoethyl)benzamide

3-amino-N-(2-amino-2-oxoethyl)benzamide (PubChem CID 16775093) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is 3-amino-N-(2-amino-2-oxoethyl)benzamide.

Molecular Properties

Compound Name3-amino-N-(2-amino-2-oxoethyl)benzamide
PubChem CID16775093
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC Name3-amino-N-(2-amino-2-oxoethyl)benzamide
SMILESNC(=O)CNC(=O)c1cccc(N)c1
InChIInChI=1S/C9H11N3O2/c10-7-3-1-2-6(4-7)9(14)12-5-8(11)13/h1-4H,5,10H2,(H2,11,13)(H,12,14)
InChIKeyBSPBJCYXCMMGBA-UHFFFAOYSA-N
XLogP-0.52
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 5-0.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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3-amino-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide
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N-(2-acetamidoethyl)-3-aminobenzamide;hydrochloride
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CID 140989186
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CID 65032070
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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-amino-2-oxoethyl)benzamide?
The IUPAC name of 3-amino-N-(2-amino-2-oxoethyl)benzamide (CID 16775093) is 3-amino-N-(2-amino-2-oxoethyl)benzamide.
What is the SMILES notation for 3-amino-N-(2-amino-2-oxoethyl)benzamide?
The canonical SMILES for 3-amino-N-(2-amino-2-oxoethyl)benzamide is NC(=O)CNC(=O)c1cccc(N)c1.
What is the InChIKey of 3-amino-N-(2-amino-2-oxoethyl)benzamide?
The InChIKey is BSPBJCYXCMMGBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2/c10-7-3-1-2-6(4-7)9(14)12-5-8(11)13/h1-4H,5,10H2,(H2,11,13)(H,12,14).
What are the key properties of 3-amino-N-(2-amino-2-oxoethyl)benzamide?
3-amino-N-(2-amino-2-oxoethyl)benzamide has a molecular weight of 193.21 g/mol, XLogP of -0.52, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-amino-2-oxoethyl)benzamide is sourced from PubChem (CID 16775093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).