3-amino-N-(2-amino-2-oxoethyl)-2-bromo-N-propan-2-ylbenzamide

C12H16BrN3O2 — CID 113366951

IUPAC3-amino-N-(2-amino-2-oxoethyl)-2-bromo-N-propan-2-ylbenzamide
SMILESCC(C)N(CC(N)=O)C(=O)c1cccc(N)c1Br
InChIInChI=1S/C12H16BrN3O2/c1-7(2)16(6-10(15)17)12(18)8-4-3-5-9(14)11(8)13/h3-5,7H,6,14H2,1-2H3,(H2,15,17)
InChIKeyPIRNUYWIDKETOQ-UHFFFAOYSA-N
MW314.18 g/mol
LogP1.37
Rot. Bonds4

About 3-amino-N-(2-amino-2-oxoethyl)-2-bromo-N-propan-2-ylbenzamide

3-amino-N-(2-amino-2-oxoethyl)-2-bromo-N-propan-2-ylbenzamide (PubChem CID 113366951) has the molecular formula C12H16BrN3O2 and a molecular weight of 314.18 g/mol. Its IUPAC name is 3-amino-N-(2-amino-2-oxoethyl)-2-bromo-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name3-amino-N-(2-amino-2-oxoethyl)-2-bromo-N-propan-2-ylbenzamide
PubChem CID113366951
Molecular FormulaC12H16BrN3O2
Molecular Weight314.18 g/mol
Exact Mass313.04
IUPAC Name3-amino-N-(2-amino-2-oxoethyl)-2-bromo-N-propan-2-ylbenzamide
SMILESCC(C)N(CC(N)=O)C(=O)c1cccc(N)c1Br
InChIInChI=1S/C12H16BrN3O2/c1-7(2)16(6-10(15)17)12(18)8-4-3-5-9(14)11(8)13/h3-5,7H,6,14H2,1-2H3,(H2,15,17)
InChIKeyPIRNUYWIDKETOQ-UHFFFAOYSA-N
XLogP1.37
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.18
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-amino-N-(2-amino-2-oxoethyl)-2-bromo-N-propan-2-ylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-amino-2-oxoethyl)-2-methyl-N-propan-2-ylquinoline-8-carboxamide
CID 75373226
3-amino-N-(2-amino-2-oxoethyl)-N-propan-2-ylbenzamide
CID 43572610
N-(2-amino-2-oxoethyl)-2-bromo-6-fluoro-N-propan-2-ylbenzamide
CID 115678505
5-amino-N-(2-amino-2-oxoethyl)-2-methyl-N-propan-2-ylbenzamide;hydrochloride
CID 120617672
6-[(2-amino-2-oxoethyl)-propan-2-ylcarbamoyl]pyridine-2-carboxylic acid
CID 55125535
3-amino-2-[(2-amino-2-oxoethyl)-propan-2-ylamino]benzamide
CID 112578538
N-[(2-aminophenyl)methyl]-2-bromo-N-propan-2-ylbenzamide
CID 43460393
N-(2-amino-2-oxoethyl)-4-fluoro-2-iodo-N-propan-2-ylbenzamide
CID 113222881
1-(3-amino-2-bromophenyl)-2-chloropropan-1-one
CID 118826655
N-(2-amino-2-oxoethyl)-4-hydroxy-2-methyl-N-propan-2-ylbenzamide
CID 103865091
ethyl 2-[(2,3-dichlorobenzoyl)-propan-2-ylamino]acetate
CID 61022668
3-amino-N-(2-amino-2-oxoethyl)-2-chloro-N-methylbenzamide
CID 112574760

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-amino-2-oxoethyl)-2-bromo-N-propan-2-ylbenzamide?
The IUPAC name of 3-amino-N-(2-amino-2-oxoethyl)-2-bromo-N-propan-2-ylbenzamide (CID 113366951) is 3-amino-N-(2-amino-2-oxoethyl)-2-bromo-N-propan-2-ylbenzamide.
What is the SMILES notation for 3-amino-N-(2-amino-2-oxoethyl)-2-bromo-N-propan-2-ylbenzamide?
The canonical SMILES for 3-amino-N-(2-amino-2-oxoethyl)-2-bromo-N-propan-2-ylbenzamide is CC(C)N(CC(N)=O)C(=O)c1cccc(N)c1Br.
What is the InChIKey of 3-amino-N-(2-amino-2-oxoethyl)-2-bromo-N-propan-2-ylbenzamide?
The InChIKey is PIRNUYWIDKETOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN3O2/c1-7(2)16(6-10(15)17)12(18)8-4-3-5-9(14)11(8)13/h3-5,7H,6,14H2,1-2H3,(H2,15,17).
What are the key properties of 3-amino-N-(2-amino-2-oxoethyl)-2-bromo-N-propan-2-ylbenzamide?
3-amino-N-(2-amino-2-oxoethyl)-2-bromo-N-propan-2-ylbenzamide has a molecular weight of 314.18 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-amino-2-oxoethyl)-2-bromo-N-propan-2-ylbenzamide is sourced from PubChem (CID 113366951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).