2-[1-(4-bromo-2-fluorophenyl)ethylamino]-N-ethylacetamide

C12H16BrFN2O — CID 82963648

IUPAC2-[1-(4-bromo-2-fluorophenyl)ethylamino]-N-ethylacetamide
SMILESCCNC(=O)CNC(C)c1ccc(Br)cc1F
InChIInChI=1S/C12H16BrFN2O/c1-3-15-12(17)7-16-8(2)10-5-4-9(13)6-11(10)14/h4-6,8,16H,3,7H2,1-2H3,(H,15,17)
InChIKeyPREUYVKMGLBOKT-UHFFFAOYSA-N
MW303.18 g/mol
LogP2.37
Rot. Bonds5

About 2-[1-(4-bromo-2-fluorophenyl)ethylamino]-N-ethylacetamide

2-[1-(4-bromo-2-fluorophenyl)ethylamino]-N-ethylacetamide (PubChem CID 82963648) has the molecular formula C12H16BrFN2O and a molecular weight of 303.18 g/mol. Its IUPAC name is 2-[1-(4-bromo-2-fluorophenyl)ethylamino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[1-(4-bromo-2-fluorophenyl)ethylamino]-N-ethylacetamide
PubChem CID82963648
Molecular FormulaC12H16BrFN2O
Molecular Weight303.18 g/mol
Exact Mass302.04
IUPAC Name2-[1-(4-bromo-2-fluorophenyl)ethylamino]-N-ethylacetamide
SMILESCCNC(=O)CNC(C)c1ccc(Br)cc1F
InChIInChI=1S/C12H16BrFN2O/c1-3-15-12(17)7-16-8(2)10-5-4-9(13)6-11(10)14/h4-6,8,16H,3,7H2,1-2H3,(H,15,17)
InChIKeyPREUYVKMGLBOKT-UHFFFAOYSA-N
XLogP2.37
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
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-[[(1S)-1-(4-bromo-2-fluorophenyl)ethyl]amino]-N-(cyclopropylmethyl)acetamide
CID 99626334
N-(4-bromo-2-fluorophenyl)-2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]acetamide
CID 9369741
N-(4-bromo-2-fluorophenyl)-2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]acetamide
CID 9369736
2-[1-(4-bromophenyl)ethylamino]-N-ethylacetamide
CID 43400964
2-[1-(5-bromo-2-fluorophenyl)ethylamino]-N-propan-2-ylacetamide
CID 81302054
2-[1-(2,4-dibromophenyl)ethylamino]-N-propylacetamide
CID 60781734
2-[1-(2,4-difluorophenyl)ethylamino]-N-propylacetamide
CID 43401006
N-[(1S)-1-(4-bromophenyl)ethyl]-2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]acetamide
CID 9369318
2-[1-(3-bromophenyl)ethylamino]-N-ethylacetamide
CID 43566934
2-[1-(2-fluoro-4-hydroxyphenyl)ethylamino]-N-(2-methylpropyl)acetamide
CID 107715392
N-[1-(4-bromo-2-fluorophenyl)ethyl]-2,2-difluoroethanamine
CID 82964200
2-[1-(4-bromo-2-fluorophenyl)ethylamino]pentanoic acid
CID 82973499

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-bromo-2-fluorophenyl)ethylamino]-N-ethylacetamide?
The IUPAC name of 2-[1-(4-bromo-2-fluorophenyl)ethylamino]-N-ethylacetamide (CID 82963648) is 2-[1-(4-bromo-2-fluorophenyl)ethylamino]-N-ethylacetamide.
What is the SMILES notation for 2-[1-(4-bromo-2-fluorophenyl)ethylamino]-N-ethylacetamide?
The canonical SMILES for 2-[1-(4-bromo-2-fluorophenyl)ethylamino]-N-ethylacetamide is CCNC(=O)CNC(C)c1ccc(Br)cc1F.
What is the InChIKey of 2-[1-(4-bromo-2-fluorophenyl)ethylamino]-N-ethylacetamide?
The InChIKey is PREUYVKMGLBOKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrFN2O/c1-3-15-12(17)7-16-8(2)10-5-4-9(13)6-11(10)14/h4-6,8,16H,3,7H2,1-2H3,(H,15,17).
What are the key properties of 2-[1-(4-bromo-2-fluorophenyl)ethylamino]-N-ethylacetamide?
2-[1-(4-bromo-2-fluorophenyl)ethylamino]-N-ethylacetamide has a molecular weight of 303.18 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-bromo-2-fluorophenyl)ethylamino]-N-ethylacetamide is sourced from PubChem (CID 82963648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).