3-[1-(4-bromo-2-fluorophenyl)ethylamino]-N,N-dimethylpropanamide

C13H18BrFN2O — CID 82962909

IUPAC3-[1-(4-bromo-2-fluorophenyl)ethylamino]-N,N-dimethylpropanamide
SMILESCC(NCCC(=O)N(C)C)c1ccc(Br)cc1F
InChIInChI=1S/C13H18BrFN2O/c1-9(16-7-6-13(18)17(2)3)11-5-4-10(14)8-12(11)15/h4-5,8-9,16H,6-7H2,1-3H3
InChIKeyVDSZMZUJLZNSJR-UHFFFAOYSA-N
MW317.20 g/mol
LogP2.72
Rot. Bonds5

About 3-[1-(4-bromo-2-fluorophenyl)ethylamino]-N,N-dimethylpropanamide

3-[1-(4-bromo-2-fluorophenyl)ethylamino]-N,N-dimethylpropanamide (PubChem CID 82962909) has the molecular formula C13H18BrFN2O and a molecular weight of 317.20 g/mol. Its IUPAC name is 3-[1-(4-bromo-2-fluorophenyl)ethylamino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[1-(4-bromo-2-fluorophenyl)ethylamino]-N,N-dimethylpropanamide
PubChem CID82962909
Molecular FormulaC13H18BrFN2O
Molecular Weight317.20 g/mol
Exact Mass316.06
IUPAC Name3-[1-(4-bromo-2-fluorophenyl)ethylamino]-N,N-dimethylpropanamide
SMILESCC(NCCC(=O)N(C)C)c1ccc(Br)cc1F
InChIInChI=1S/C13H18BrFN2O/c1-9(16-7-6-13(18)17(2)3)11-5-4-10(14)8-12(11)15/h4-5,8-9,16H,6-7H2,1-3H3
InChIKeyVDSZMZUJLZNSJR-UHFFFAOYSA-N
XLogP2.72
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.20
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[1-(4-bromo-2-fluorophenyl)ethylamino]-N,N-dimethylpropanamide 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

4-[1-(4-bromo-2-fluorophenyl)ethylamino]butan-2-ol
CID 82964342
N-[1-(4-bromo-2-fluorophenyl)ethyl]-3-methylbutan-1-amine
CID 82961496
3-[[(1S)-1-(2-bromo-4-methoxyphenyl)ethyl]amino]-N,N-dimethylpropanamide
CID 97336153
3-(4-bromo-2-fluoroanilino)-N,N-dimethylpropanamide
CID 60961729
(3R)-N-[(1S)-1-(4-bromo-2-fluorophenyl)ethyl]-3-[(S)-methylsulfinyl]butan-1-amine
CID 99577329
N'-[1-(4-bromo-2-fluorophenyl)ethyl]propane-1,3-diamine
CID 82963535
3-[1-(2,4-dihydroxyphenyl)ethylamino]-N,N-dimethylpropanamide
CID 54934715
N-[1-(4-bromo-2-fluorophenyl)ethyl]-N'-methyl-N'-propan-2-ylbutane-1,4-diamine
CID 82964773
N-[1-(4-bromo-2-fluorophenyl)ethyl]-3,3,3-trifluoropropan-1-amine
CID 82963086
5-[1-(4-bromo-2-fluorophenyl)ethylamino]-2-methylpentan-1-ol
CID 102613092
4-[[(1R)-1-(2-fluorophenyl)ethyl]amino]-N,N-dimethylbutanamide
CID 81380915
3-[1-(4-bromo-2-fluorophenyl)ethylamino]propanenitrile
CID 82963032

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-bromo-2-fluorophenyl)ethylamino]-N,N-dimethylpropanamide?
The IUPAC name of 3-[1-(4-bromo-2-fluorophenyl)ethylamino]-N,N-dimethylpropanamide (CID 82962909) is 3-[1-(4-bromo-2-fluorophenyl)ethylamino]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[1-(4-bromo-2-fluorophenyl)ethylamino]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[1-(4-bromo-2-fluorophenyl)ethylamino]-N,N-dimethylpropanamide is CC(NCCC(=O)N(C)C)c1ccc(Br)cc1F.
What is the InChIKey of 3-[1-(4-bromo-2-fluorophenyl)ethylamino]-N,N-dimethylpropanamide?
The InChIKey is VDSZMZUJLZNSJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrFN2O/c1-9(16-7-6-13(18)17(2)3)11-5-4-10(14)8-12(11)15/h4-5,8-9,16H,6-7H2,1-3H3.
What are the key properties of 3-[1-(4-bromo-2-fluorophenyl)ethylamino]-N,N-dimethylpropanamide?
3-[1-(4-bromo-2-fluorophenyl)ethylamino]-N,N-dimethylpropanamide has a molecular weight of 317.20 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-bromo-2-fluorophenyl)ethylamino]-N,N-dimethylpropanamide is sourced from PubChem (CID 82962909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).