2-[2-(3,5-difluorophenyl)ethylamino]-N-(3-methylbutyl)propanamide

C16H24F2N2O — CID 62305792

IUPAC2-[2-(3,5-difluorophenyl)ethylamino]-N-(3-methylbutyl)propanamide
SMILESCC(C)CCNC(=O)C(C)NCCc1cc(F)cc(F)c1
InChIInChI=1S/C16H24F2N2O/c1-11(2)4-6-20-16(21)12(3)19-7-5-13-8-14(17)10-15(18)9-13/h8-12,19H,4-7H2,1-3H3,(H,20,21)
InChIKeyJPYZWGKPAMZEEV-UHFFFAOYSA-N
MW298.38 g/mol
LogP2.65
Rot. Bonds8

About 2-[2-(3,5-difluorophenyl)ethylamino]-N-(3-methylbutyl)propanamide

2-[2-(3,5-difluorophenyl)ethylamino]-N-(3-methylbutyl)propanamide (PubChem CID 62305792) has the molecular formula C16H24F2N2O and a molecular weight of 298.38 g/mol. Its IUPAC name is 2-[2-(3,5-difluorophenyl)ethylamino]-N-(3-methylbutyl)propanamide.

Molecular Properties

Compound Name2-[2-(3,5-difluorophenyl)ethylamino]-N-(3-methylbutyl)propanamide
PubChem CID62305792
Molecular FormulaC16H24F2N2O
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name2-[2-(3,5-difluorophenyl)ethylamino]-N-(3-methylbutyl)propanamide
SMILESCC(C)CCNC(=O)C(C)NCCc1cc(F)cc(F)c1
InChIInChI=1S/C16H24F2N2O/c1-11(2)4-6-20-16(21)12(3)19-7-5-13-8-14(17)10-15(18)9-13/h8-12,19H,4-7H2,1-3H3,(H,20,21)
InChIKeyJPYZWGKPAMZEEV-UHFFFAOYSA-N
XLogP2.65
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(4-fluorophenyl)ethylamino]-N-(3-methylbutyl)propanamide
CID 43112605
2-[2-(3,5-difluorophenyl)ethylamino]-N-methylpropanamide
CID 55094162
N-(3-methylbutyl)-2-[2-(3-methylphenyl)ethylamino]propanamide
CID 62312844
N-[2-(3,5-difluorophenyl)ethyl]-5-methylhexan-2-amine
CID 62605165
(2R)-2-amino-N-[2-(3,5-difluorophenyl)ethyl]-4-methylpentanamide
CID 104903415
2-[2-(3,5-difluorophenyl)ethylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 62306110
2-(2-acetamidoethylamino)-N-(3-methylbutyl)propanamide
CID 43420237
2-[2-(4-fluorophenyl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 115571284
2-[2-(3-fluorophenyl)ethylamino]-N-propan-2-ylpropanamide
CID 43401436
N-[2-(4-fluorophenyl)ethyl]-N'-(3-methylbutyl)oxamide
CID 108531969
2-(butylamino)-N-(3-methylbutyl)propanamide
CID 43112967
N-[2-(3,5-difluorophenyl)ethyl]butan-2-amine
CID 62604630

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,5-difluorophenyl)ethylamino]-N-(3-methylbutyl)propanamide?
The IUPAC name of 2-[2-(3,5-difluorophenyl)ethylamino]-N-(3-methylbutyl)propanamide (CID 62305792) is 2-[2-(3,5-difluorophenyl)ethylamino]-N-(3-methylbutyl)propanamide.
What is the SMILES notation for 2-[2-(3,5-difluorophenyl)ethylamino]-N-(3-methylbutyl)propanamide?
The canonical SMILES for 2-[2-(3,5-difluorophenyl)ethylamino]-N-(3-methylbutyl)propanamide is CC(C)CCNC(=O)C(C)NCCc1cc(F)cc(F)c1.
What is the InChIKey of 2-[2-(3,5-difluorophenyl)ethylamino]-N-(3-methylbutyl)propanamide?
The InChIKey is JPYZWGKPAMZEEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F2N2O/c1-11(2)4-6-20-16(21)12(3)19-7-5-13-8-14(17)10-15(18)9-13/h8-12,19H,4-7H2,1-3H3,(H,20,21).
What are the key properties of 2-[2-(3,5-difluorophenyl)ethylamino]-N-(3-methylbutyl)propanamide?
2-[2-(3,5-difluorophenyl)ethylamino]-N-(3-methylbutyl)propanamide has a molecular weight of 298.38 g/mol, XLogP of 2.65, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,5-difluorophenyl)ethylamino]-N-(3-methylbutyl)propanamide is sourced from PubChem (CID 62305792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).