2-[1-(5-bromo-2-fluorophenyl)ethylamino]-N-propan-2-ylacetamide

C13H18BrFN2O — CID 81302054

IUPAC2-[1-(5-bromo-2-fluorophenyl)ethylamino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CNC(C)c1cc(Br)ccc1F
InChIInChI=1S/C13H18BrFN2O/c1-8(2)17-13(18)7-16-9(3)11-6-10(14)4-5-12(11)15/h4-6,8-9,16H,7H2,1-3H3,(H,17,18)
InChIKeyANMCZBBTRFESHU-UHFFFAOYSA-N
MW317.20 g/mol
LogP2.76
Rot. Bonds5

About 2-[1-(5-bromo-2-fluorophenyl)ethylamino]-N-propan-2-ylacetamide

2-[1-(5-bromo-2-fluorophenyl)ethylamino]-N-propan-2-ylacetamide (PubChem CID 81302054) has the molecular formula C13H18BrFN2O and a molecular weight of 317.20 g/mol. Its IUPAC name is 2-[1-(5-bromo-2-fluorophenyl)ethylamino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[1-(5-bromo-2-fluorophenyl)ethylamino]-N-propan-2-ylacetamide
PubChem CID81302054
Molecular FormulaC13H18BrFN2O
Molecular Weight317.20 g/mol
Exact Mass316.06
IUPAC Name2-[1-(5-bromo-2-fluorophenyl)ethylamino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CNC(C)c1cc(Br)ccc1F
InChIInChI=1S/C13H18BrFN2O/c1-8(2)17-13(18)7-16-9(3)11-6-10(14)4-5-12(11)15/h4-6,8-9,16H,7H2,1-3H3,(H,17,18)
InChIKeyANMCZBBTRFESHU-UHFFFAOYSA-N
XLogP2.76
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.20
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[1-(5-bromo-2-fluorophenyl)ethylamino]-N-propan-2-ylacetamide 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

2-[1-(5-bromo-2-fluorophenyl)ethylamino]acetic acid
CID 82964590
3-[1-(5-bromo-2-fluorophenyl)ethylamino]-N-butan-2-ylpropanamide
CID 81334397
1-[1-(5-bromo-2-fluorophenyl)ethylamino]propan-2-ol
CID 81307148
2-[1-(4-bromo-2-fluorophenyl)ethylamino]-N-ethylacetamide
CID 82963648
N-[1-(5-bromo-2-fluorophenyl)ethyl]-2,2-dimethylpropan-1-amine
CID 82963868
2-[1-(3,4-difluorophenyl)ethylamino]-N-propan-2-ylacetamide
CID 43398099
1-(5-bromo-2-fluorophenyl)-N-[(5-bromo-2-fluorophenyl)methyl]ethanamine
CID 82964766
N-[(1S)-1-(4-bromophenyl)ethyl]-2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]acetamide
CID 9369318
N-[2-[1-(5-bromo-2-fluorophenyl)ethylamino]ethyl]methanesulfonamide
CID 81333212
3-[1-(5-bromo-2-fluorophenyl)ethylamino]propanenitrile
CID 82963033
N-[1-(5-bromo-2-fluorophenyl)ethyl]-2,2-dimethoxyethanamine
CID 82964758
1-(5-bromo-2-fluorophenyl)-N-(cyclohexylmethyl)ethanamine
CID 82962734

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-bromo-2-fluorophenyl)ethylamino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[1-(5-bromo-2-fluorophenyl)ethylamino]-N-propan-2-ylacetamide (CID 81302054) is 2-[1-(5-bromo-2-fluorophenyl)ethylamino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[1-(5-bromo-2-fluorophenyl)ethylamino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[1-(5-bromo-2-fluorophenyl)ethylamino]-N-propan-2-ylacetamide is CC(C)NC(=O)CNC(C)c1cc(Br)ccc1F.
What is the InChIKey of 2-[1-(5-bromo-2-fluorophenyl)ethylamino]-N-propan-2-ylacetamide?
The InChIKey is ANMCZBBTRFESHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrFN2O/c1-8(2)17-13(18)7-16-9(3)11-6-10(14)4-5-12(11)15/h4-6,8-9,16H,7H2,1-3H3,(H,17,18).
What are the key properties of 2-[1-(5-bromo-2-fluorophenyl)ethylamino]-N-propan-2-ylacetamide?
2-[1-(5-bromo-2-fluorophenyl)ethylamino]-N-propan-2-ylacetamide has a molecular weight of 317.20 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-bromo-2-fluorophenyl)ethylamino]-N-propan-2-ylacetamide is sourced from PubChem (CID 81302054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).