4-(2,5-difluorophenyl)-N,N-diethyl-4-hydroxybutanamide

C14H19F2NO2 — CID 112511117

IUPAC4-(2,5-difluorophenyl)-N,N-diethyl-4-hydroxybutanamide
SMILESCCN(CC)C(=O)CCC(O)c1cc(F)ccc1F
InChIInChI=1S/C14H19F2NO2/c1-3-17(4-2)14(19)8-7-13(18)11-9-10(15)5-6-12(11)16/h5-6,9,13,18H,3-4,7-8H2,1-2H3
InChIKeyLGIHPBZGMRMWKD-UHFFFAOYSA-N
MW271.31 g/mol
LogP2.65
Rot. Bonds6

About 4-(2,5-difluorophenyl)-N,N-diethyl-4-hydroxybutanamide

4-(2,5-difluorophenyl)-N,N-diethyl-4-hydroxybutanamide (PubChem CID 112511117) has the molecular formula C14H19F2NO2 and a molecular weight of 271.31 g/mol. Its IUPAC name is 4-(2,5-difluorophenyl)-N,N-diethyl-4-hydroxybutanamide.

Molecular Properties

Compound Name4-(2,5-difluorophenyl)-N,N-diethyl-4-hydroxybutanamide
PubChem CID112511117
Molecular FormulaC14H19F2NO2
Molecular Weight271.31 g/mol
Exact Mass271.14
IUPAC Name4-(2,5-difluorophenyl)-N,N-diethyl-4-hydroxybutanamide
SMILESCCN(CC)C(=O)CCC(O)c1cc(F)ccc1F
InChIInChI=1S/C14H19F2NO2/c1-3-17(4-2)14(19)8-7-13(18)11-9-10(15)5-6-12(11)16/h5-6,9,13,18H,3-4,7-8H2,1-2H3
InChIKeyLGIHPBZGMRMWKD-UHFFFAOYSA-N
XLogP2.65
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(2,5-difluorophenyl)-5-hydroxypentanoic acid
CID 43117843
3-amino-1-(2,5-difluorophenyl)propan-1-ol
CID 64989517
(1R)-3-amino-1-(2,5-difluorophenyl)propan-1-ol
CID 93182256
1-(2,5-difluorophenyl)-2-[ethyl(2-hydroxyethyl)amino]ethanol
CID 82217059
N,N-diethyl-2-[4-fluoro-2-[(1R)-1-hydroxyethyl]-N-methylanilino]acetamide
CID 63371189
N-[1-(2,5-difluorophenyl)ethyl]-N-methylhexanamide
CID 86925812
1-(2,5-difluorophenyl)-3-methylbutan-1-ol
CID 61100112
1-(2,5-difluorophenyl)-2-(ethoxyamino)ethanol
CID 60969966
4-cyano-N,N-diethyl-4-(4-fluorophenyl)butanamide
CID 112516955
1-(2,5-difluorophenyl)-2-(methylamino)ethanol
CID 60904118
ethyl 5-amino-5-(2,5-difluorophenyl)pentanoate
CID 60861649
ethyl 3-(2,5-difluorophenyl)-2-fluoro-3-hydroxypropanoate
CID 79366836

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-difluorophenyl)-N,N-diethyl-4-hydroxybutanamide?
The IUPAC name of 4-(2,5-difluorophenyl)-N,N-diethyl-4-hydroxybutanamide (CID 112511117) is 4-(2,5-difluorophenyl)-N,N-diethyl-4-hydroxybutanamide.
What is the SMILES notation for 4-(2,5-difluorophenyl)-N,N-diethyl-4-hydroxybutanamide?
The canonical SMILES for 4-(2,5-difluorophenyl)-N,N-diethyl-4-hydroxybutanamide is CCN(CC)C(=O)CCC(O)c1cc(F)ccc1F.
What is the InChIKey of 4-(2,5-difluorophenyl)-N,N-diethyl-4-hydroxybutanamide?
The InChIKey is LGIHPBZGMRMWKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO2/c1-3-17(4-2)14(19)8-7-13(18)11-9-10(15)5-6-12(11)16/h5-6,9,13,18H,3-4,7-8H2,1-2H3.
What are the key properties of 4-(2,5-difluorophenyl)-N,N-diethyl-4-hydroxybutanamide?
4-(2,5-difluorophenyl)-N,N-diethyl-4-hydroxybutanamide has a molecular weight of 271.31 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-difluorophenyl)-N,N-diethyl-4-hydroxybutanamide is sourced from PubChem (CID 112511117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).