3-(2-bromophenyl)-N-[2-(dimethylamino)-2-oxoethyl]propanamide

C13H17BrN2O2 — CID 51085814

IUPAC3-(2-bromophenyl)-N-[2-(dimethylamino)-2-oxoethyl]propanamide
SMILESCN(C)C(=O)CNC(=O)CCc1ccccc1Br
InChIInChI=1S/C13H17BrN2O2/c1-16(2)13(18)9-15-12(17)8-7-10-5-3-4-6-11(10)14/h3-6H,7-9H2,1-2H3,(H,15,17)
InChIKeyNNSUHKKWHPMIGI-UHFFFAOYSA-N
MW313.19 g/mol
LogP1.59
Rot. Bonds5

About 3-(2-bromophenyl)-N-[2-(dimethylamino)-2-oxoethyl]propanamide

3-(2-bromophenyl)-N-[2-(dimethylamino)-2-oxoethyl]propanamide (PubChem CID 51085814) has the molecular formula C13H17BrN2O2 and a molecular weight of 313.19 g/mol. Its IUPAC name is 3-(2-bromophenyl)-N-[2-(dimethylamino)-2-oxoethyl]propanamide.

Molecular Properties

Compound Name3-(2-bromophenyl)-N-[2-(dimethylamino)-2-oxoethyl]propanamide
PubChem CID51085814
Molecular FormulaC13H17BrN2O2
Molecular Weight313.19 g/mol
Exact Mass312.05
IUPAC Name3-(2-bromophenyl)-N-[2-(dimethylamino)-2-oxoethyl]propanamide
SMILESCN(C)C(=O)CNC(=O)CCc1ccccc1Br
InChIInChI=1S/C13H17BrN2O2/c1-16(2)13(18)9-15-12(17)8-7-10-5-3-4-6-11(10)14/h3-6H,7-9H2,1-2H3,(H,15,17)
InChIKeyNNSUHKKWHPMIGI-UHFFFAOYSA-N
XLogP1.59
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.19
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(2-bromophenyl)-N-[2-(dimethylamino)-2-oxoethyl]propanamide 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

3-(2-bromophenyl)-N-hydroxypropanamide
CID 130732789
3-(2-bromophenyl)-N-[2-(N-methylanilino)ethyl]propanamide
CID 55822824
3-(2,3-dimethoxyphenyl)-N-[2-(dimethylamino)-2-oxoethyl]propanamide
CID 9481076
3-(2-bromophenyl)-N-[(2-bromophenyl)methyl]-N-methylpropanamide
CID 55833713
2-(2-bromophenyl)-N-[2-(diethylamino)-2-oxoethyl]acetamide
CID 112994741
4-[3-(2-bromophenyl)propanoylamino]butanoic acid
CID 75428748
N-[2-(dimethylamino)-2-oxoethyl]-4-oxo-4-phenylbutanamide
CID 9480707
3-(2-bromophenyl)-N-[(2R)-2-(ethylamino)propyl]propanamide
CID 120654083
N-[2-[benzyl(methyl)amino]-2-oxoethyl]-2-(2-bromophenyl)acetamide
CID 112992422
N-(2-amino-2-ethylbutyl)-3-(2-bromophenyl)propanamide;hydrochloride
CID 119643020
[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-(2-fluorophenyl)propanoate
CID 8647741
2-(2-bromophenyl)-N-[2-(dipropylamino)-2-oxoethyl]acetamide
CID 112995770

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromophenyl)-N-[2-(dimethylamino)-2-oxoethyl]propanamide?
The IUPAC name of 3-(2-bromophenyl)-N-[2-(dimethylamino)-2-oxoethyl]propanamide (CID 51085814) is 3-(2-bromophenyl)-N-[2-(dimethylamino)-2-oxoethyl]propanamide.
What is the SMILES notation for 3-(2-bromophenyl)-N-[2-(dimethylamino)-2-oxoethyl]propanamide?
The canonical SMILES for 3-(2-bromophenyl)-N-[2-(dimethylamino)-2-oxoethyl]propanamide is CN(C)C(=O)CNC(=O)CCc1ccccc1Br.
What is the InChIKey of 3-(2-bromophenyl)-N-[2-(dimethylamino)-2-oxoethyl]propanamide?
The InChIKey is NNSUHKKWHPMIGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O2/c1-16(2)13(18)9-15-12(17)8-7-10-5-3-4-6-11(10)14/h3-6H,7-9H2,1-2H3,(H,15,17).
What are the key properties of 3-(2-bromophenyl)-N-[2-(dimethylamino)-2-oxoethyl]propanamide?
3-(2-bromophenyl)-N-[2-(dimethylamino)-2-oxoethyl]propanamide has a molecular weight of 313.19 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromophenyl)-N-[2-(dimethylamino)-2-oxoethyl]propanamide is sourced from PubChem (CID 51085814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).