1-(3,4-difluorophenyl)-2-[2-methylpropyl(pentan-3-yl)amino]ethanone

C17H25F2NO — CID 79491183

IUPAC1-(3,4-difluorophenyl)-2-[2-methylpropyl(pentan-3-yl)amino]ethanone
SMILESCCC(CC)N(CC(=O)c1ccc(F)c(F)c1)CC(C)C
InChIInChI=1S/C17H25F2NO/c1-5-14(6-2)20(10-12(3)4)11-17(21)13-7-8-15(18)16(19)9-13/h7-9,12,14H,5-6,10-11H2,1-4H3
InChIKeyLWWJUVHYDLHQGP-UHFFFAOYSA-N
MW297.39 g/mol
LogP4.29
Rot. Bonds8

About 1-(3,4-difluorophenyl)-2-[2-methylpropyl(pentan-3-yl)amino]ethanone

1-(3,4-difluorophenyl)-2-[2-methylpropyl(pentan-3-yl)amino]ethanone (PubChem CID 79491183) has the molecular formula C17H25F2NO and a molecular weight of 297.39 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-2-[2-methylpropyl(pentan-3-yl)amino]ethanone.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-2-[2-methylpropyl(pentan-3-yl)amino]ethanone
PubChem CID79491183
Molecular FormulaC17H25F2NO
Molecular Weight297.39 g/mol
Exact Mass297.19
IUPAC Name1-(3,4-difluorophenyl)-2-[2-methylpropyl(pentan-3-yl)amino]ethanone
SMILESCCC(CC)N(CC(=O)c1ccc(F)c(F)c1)CC(C)C
InChIInChI=1S/C17H25F2NO/c1-5-14(6-2)20(10-12(3)4)11-17(21)13-7-8-15(18)16(19)9-13/h7-9,12,14H,5-6,10-11H2,1-4H3
InChIKeyLWWJUVHYDLHQGP-UHFFFAOYSA-N
XLogP4.29
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.39
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-difluorophenyl)-2-[2-hydroxypropyl(methyl)amino]ethanone
CID 62333770
1-(3-methoxyphenyl)-2-[2-methylpropyl(pentan-3-yl)amino]ethanone
CID 79491164
2-butan-2-yloxy-1-(3,4-difluorophenyl)ethanone
CID 60904694
1-(3,4-difluorophenyl)-2-[methyl(1-methylsulfanylpropan-2-yl)amino]ethanone
CID 112662119
3-[[2-(3,4-difluorophenyl)-2-oxoethyl]-methylamino]-N,2-dimethylpropanamide
CID 106916614
1-(3,4-difluorophenyl)-2-[methyl(2-methylpropyl)amino]propan-1-one
CID 43795734
2-[butan-2-yl(ethyl)amino]-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 43795984
(3S)-5-(3,4-difluorophenyl)-3-methyl-5-oxopentanoic acid
CID 7154075
2-butan-2-ylsulfonyl-1-(3,4-difluorophenyl)ethanone
CID 64643753
1-(3,4-difluorophenyl)-2-[methyl(2-methylbutyl)amino]propan-1-one
CID 43796194
3-fluoro-4-[[2-methylpropyl(pentan-3-yl)amino]methyl]benzenecarboximidamide
CID 79490942
N-butan-2-yl-4-(3,4-difluorophenyl)-4-oxobutanamide
CID 112511074

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-2-[2-methylpropyl(pentan-3-yl)amino]ethanone?
The IUPAC name of 1-(3,4-difluorophenyl)-2-[2-methylpropyl(pentan-3-yl)amino]ethanone (CID 79491183) is 1-(3,4-difluorophenyl)-2-[2-methylpropyl(pentan-3-yl)amino]ethanone.
What is the SMILES notation for 1-(3,4-difluorophenyl)-2-[2-methylpropyl(pentan-3-yl)amino]ethanone?
The canonical SMILES for 1-(3,4-difluorophenyl)-2-[2-methylpropyl(pentan-3-yl)amino]ethanone is CCC(CC)N(CC(=O)c1ccc(F)c(F)c1)CC(C)C.
What is the InChIKey of 1-(3,4-difluorophenyl)-2-[2-methylpropyl(pentan-3-yl)amino]ethanone?
The InChIKey is LWWJUVHYDLHQGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F2NO/c1-5-14(6-2)20(10-12(3)4)11-17(21)13-7-8-15(18)16(19)9-13/h7-9,12,14H,5-6,10-11H2,1-4H3.
What are the key properties of 1-(3,4-difluorophenyl)-2-[2-methylpropyl(pentan-3-yl)amino]ethanone?
1-(3,4-difluorophenyl)-2-[2-methylpropyl(pentan-3-yl)amino]ethanone has a molecular weight of 297.39 g/mol, XLogP of 4.29, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-2-[2-methylpropyl(pentan-3-yl)amino]ethanone is sourced from PubChem (CID 79491183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).