2-[1-(2,4-difluorophenyl)ethylamino]-N,N,4-trimethylpentanamide

C16H24F2N2O — CID 43675015

IUPAC2-[1-(2,4-difluorophenyl)ethylamino]-N,N,4-trimethylpentanamide
SMILESCC(C)CC(NC(C)c1ccc(F)cc1F)C(=O)N(C)C
InChIInChI=1S/C16H24F2N2O/c1-10(2)8-15(16(21)20(4)5)19-11(3)13-7-6-12(17)9-14(13)18/h6-7,9-11,15,19H,8H2,1-5H3
InChIKeyIHHPBKQEPYJBIN-UHFFFAOYSA-N
MW298.38 g/mol
LogP3.12
Rot. Bonds6

About 2-[1-(2,4-difluorophenyl)ethylamino]-N,N,4-trimethylpentanamide

2-[1-(2,4-difluorophenyl)ethylamino]-N,N,4-trimethylpentanamide (PubChem CID 43675015) has the molecular formula C16H24F2N2O and a molecular weight of 298.38 g/mol. Its IUPAC name is 2-[1-(2,4-difluorophenyl)ethylamino]-N,N,4-trimethylpentanamide.

Molecular Properties

Compound Name2-[1-(2,4-difluorophenyl)ethylamino]-N,N,4-trimethylpentanamide
PubChem CID43675015
Molecular FormulaC16H24F2N2O
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name2-[1-(2,4-difluorophenyl)ethylamino]-N,N,4-trimethylpentanamide
SMILESCC(C)CC(NC(C)c1ccc(F)cc1F)C(=O)N(C)C
InChIInChI=1S/C16H24F2N2O/c1-10(2)8-15(16(21)20(4)5)19-11(3)13-7-6-12(17)9-14(13)18/h6-7,9-11,15,19H,8H2,1-5H3
InChIKeyIHHPBKQEPYJBIN-UHFFFAOYSA-N
XLogP3.12
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(2,4-dibromophenyl)ethylamino]-N,N,4-trimethylpentanamide
CID 60781725
2-[1-(2-chlorophenyl)ethylamino]-N,N,4-trimethylpentanamide
CID 43675021
2-[1-(2-hydroxy-5-methylphenyl)ethylamino]-N,N,4-trimethylpentanamide
CID 43675117
1-(2,4-difluorophenyl)-N-[1-(2,4-difluorophenyl)ethyl]ethanamine
CID 43680818
2-[1-(4-fluoro-2-hydroxyphenyl)ethylamino]-N,4-dimethylpentanamide
CID 63067468
N,N,4-trimethyl-2-[1-(5-methylfuran-2-yl)ethylamino]pentanamide
CID 43675082
N-[1-(2,4-difluorophenyl)ethyl]-2-oxopropanamide
CID 70339940
2-[1-(2,4-difluorophenyl)ethylamino]-N-propylpropanamide
CID 43226798
2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-N-[2-(dimethylamino)-2-oxoethyl]acetamide
CID 8689093
(2R)-2-[1-(2,4-difluorophenyl)ethylamino]butan-1-ol
CID 103922371
1-(2,4-difluorophenyl)-3-methylbutan-1-ol
CID 61087910
1-(2,4-difluorophenyl)-N-[1-(2,5-difluorophenyl)ethyl]ethanamine
CID 43674206

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,4-difluorophenyl)ethylamino]-N,N,4-trimethylpentanamide?
The IUPAC name of 2-[1-(2,4-difluorophenyl)ethylamino]-N,N,4-trimethylpentanamide (CID 43675015) is 2-[1-(2,4-difluorophenyl)ethylamino]-N,N,4-trimethylpentanamide.
What is the SMILES notation for 2-[1-(2,4-difluorophenyl)ethylamino]-N,N,4-trimethylpentanamide?
The canonical SMILES for 2-[1-(2,4-difluorophenyl)ethylamino]-N,N,4-trimethylpentanamide is CC(C)CC(NC(C)c1ccc(F)cc1F)C(=O)N(C)C.
What is the InChIKey of 2-[1-(2,4-difluorophenyl)ethylamino]-N,N,4-trimethylpentanamide?
The InChIKey is IHHPBKQEPYJBIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F2N2O/c1-10(2)8-15(16(21)20(4)5)19-11(3)13-7-6-12(17)9-14(13)18/h6-7,9-11,15,19H,8H2,1-5H3.
What are the key properties of 2-[1-(2,4-difluorophenyl)ethylamino]-N,N,4-trimethylpentanamide?
2-[1-(2,4-difluorophenyl)ethylamino]-N,N,4-trimethylpentanamide has a molecular weight of 298.38 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,4-difluorophenyl)ethylamino]-N,N,4-trimethylpentanamide is sourced from PubChem (CID 43675015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).