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

C12H16BrFN2O — CID 81327934

IUPAC2-[1-(5-bromo-2-fluorophenyl)ethylamino]-N-methylpropanamide
SMILESCNC(=O)C(C)NC(C)c1cc(Br)ccc1F
InChIInChI=1S/C12H16BrFN2O/c1-7(16-8(2)12(17)15-3)10-6-9(13)4-5-11(10)14/h4-8,16H,1-3H3,(H,15,17)
InChIKeyUIQMCKCIWDPQCZ-UHFFFAOYSA-N
MW303.18 g/mol
LogP2.37
Rot. Bonds4

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

2-[1-(5-bromo-2-fluorophenyl)ethylamino]-N-methylpropanamide (PubChem CID 81327934) has the molecular formula C12H16BrFN2O and a molecular weight of 303.18 g/mol. Its IUPAC name is 2-[1-(5-bromo-2-fluorophenyl)ethylamino]-N-methylpropanamide.

Molecular Properties

Compound Name2-[1-(5-bromo-2-fluorophenyl)ethylamino]-N-methylpropanamide
PubChem CID81327934
Molecular FormulaC12H16BrFN2O
Molecular Weight303.18 g/mol
Exact Mass302.04
IUPAC Name2-[1-(5-bromo-2-fluorophenyl)ethylamino]-N-methylpropanamide
SMILESCNC(=O)C(C)NC(C)c1cc(Br)ccc1F
InChIInChI=1S/C12H16BrFN2O/c1-7(16-8(2)12(17)15-3)10-6-9(13)4-5-11(10)14/h4-8,16H,1-3H3,(H,15,17)
InChIKeyUIQMCKCIWDPQCZ-UHFFFAOYSA-N
XLogP2.37
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.18
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(3-bromo-4-fluorophenyl)ethylamino]-N-methylpropanamide
CID 54950521
(2R)-2-[1-(4-bromophenyl)ethylamino]-N-methylpropanamide
CID 103740453
2-[1-(5-bromo-2-fluorophenyl)ethylamino]acetic acid
CID 82964590
(3R)-3-[1-(5-bromo-2-fluorophenyl)ethylamino]butan-1-ol
CID 103871607
methyl (2S)-2-[1-(4-bromo-2-fluorophenyl)ethylamino]propanoate
CID 82963202
2-[1-(5-bromo-2-fluorophenyl)ethylamino]-N-propan-2-ylacetamide
CID 81302054
4-[1-(5-bromo-2-fluorophenyl)ethylamino]phenol
CID 82964843
2-(4-bromo-2-fluorophenyl)-2-hydroxy-N-methylacetamide
CID 67223969
2-(5-bromo-2-fluorophenyl)-4-methylpentan-3-one
CID 82974010
5-bromo-N-[1-(5-bromo-2-fluorophenyl)ethyl]-2-fluoroaniline
CID 82963196
2-[1-(2,5-dimethylphenyl)ethylamino]-N-methylpropanamide
CID 60673321
1-[1-(5-bromo-2-fluorophenyl)ethylamino]propan-2-ol
CID 81307148

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-bromo-2-fluorophenyl)ethylamino]-N-methylpropanamide?
The IUPAC name of 2-[1-(5-bromo-2-fluorophenyl)ethylamino]-N-methylpropanamide (CID 81327934) is 2-[1-(5-bromo-2-fluorophenyl)ethylamino]-N-methylpropanamide.
What is the SMILES notation for 2-[1-(5-bromo-2-fluorophenyl)ethylamino]-N-methylpropanamide?
The canonical SMILES for 2-[1-(5-bromo-2-fluorophenyl)ethylamino]-N-methylpropanamide is CNC(=O)C(C)NC(C)c1cc(Br)ccc1F.
What is the InChIKey of 2-[1-(5-bromo-2-fluorophenyl)ethylamino]-N-methylpropanamide?
The InChIKey is UIQMCKCIWDPQCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrFN2O/c1-7(16-8(2)12(17)15-3)10-6-9(13)4-5-11(10)14/h4-8,16H,1-3H3,(H,15,17).
What are the key properties of 2-[1-(5-bromo-2-fluorophenyl)ethylamino]-N-methylpropanamide?
2-[1-(5-bromo-2-fluorophenyl)ethylamino]-N-methylpropanamide has a molecular weight of 303.18 g/mol, XLogP of 2.37, 4 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-methylpropanamide is sourced from PubChem (CID 81327934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).