N-[4-(2-ethylhexanoyl)-2,6-difluorophenyl]-2,2-dimethylpropanamide

C19H27F2NO2 — CID 58779683

IUPACN-[4-(2-ethylhexanoyl)-2,6-difluorophenyl]-2,2-dimethylpropanamide
SMILESCCCCC(CC)C(=O)c1cc(F)c(NC(=O)C(C)(C)C)c(F)c1
InChIInChI=1S/C19H27F2NO2/c1-6-8-9-12(7-2)17(23)13-10-14(20)16(15(21)11-13)22-18(24)19(3,4)5/h10-12H,6-9H2,1-5H3,(H,22,24)
InChIKeyLBDLNBNPDPDHGQ-UHFFFAOYSA-N
MW339.43 g/mol
LogP5.35
Rot. Bonds7

About N-[4-(2-ethylhexanoyl)-2,6-difluorophenyl]-2,2-dimethylpropanamide

N-[4-(2-ethylhexanoyl)-2,6-difluorophenyl]-2,2-dimethylpropanamide (PubChem CID 58779683) has the molecular formula C19H27F2NO2 and a molecular weight of 339.43 g/mol. Its IUPAC name is N-[4-(2-ethylhexanoyl)-2,6-difluorophenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[4-(2-ethylhexanoyl)-2,6-difluorophenyl]-2,2-dimethylpropanamide
PubChem CID58779683
Molecular FormulaC19H27F2NO2
Molecular Weight339.43 g/mol
Exact Mass339.20
IUPAC NameN-[4-(2-ethylhexanoyl)-2,6-difluorophenyl]-2,2-dimethylpropanamide
SMILESCCCCC(CC)C(=O)c1cc(F)c(NC(=O)C(C)(C)C)c(F)c1
InChIInChI=1S/C19H27F2NO2/c1-6-8-9-12(7-2)17(23)13-10-14(20)16(15(21)11-13)22-18(24)19(3,4)5/h10-12H,6-9H2,1-5H3,(H,22,24)
InChIKeyLBDLNBNPDPDHGQ-UHFFFAOYSA-N
XLogP5.35
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.43
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(2-ethylhexanoyl)phenyl]acetamide
CID 43337939
(2S)-2-amino-N-(2,4,6-trifluorophenyl)hexanamide
CID 107145817
1-(3,5-difluoro-2-methoxyphenyl)-2-ethylhexan-1-one
CID 146006121
3,5-difluoro-4-(methylamino)-N-octan-4-ylbenzamide
CID 106027843
4-(2-ethylhexanoylamino)-3-fluorobenzenesulfonyl chloride
CID 43125503
4-(2-ethylhexylamino)-3-fluorobenzoic acid
CID 114004413
2-ethyl-1-(3-fluoro-2-methoxyphenyl)hexan-1-one
CID 146008444
6-(2-ethylhexanoyl)-1,4-dihydroquinoxaline-2,3-dione
CID 43338742
2-ethyl-1-(4-propoxyphenyl)hexan-1-one
CID 114971018
2-ethyl-N-(4-fluorophenyl)heptanamide
CID 130290912
(2R)-2-ethyl-N-(2,4,6-trichlorophenyl)hexanamide
CID 40563643
1-(5-chloro-2-fluorophenyl)-3-ethylheptan-2-one
CID 103052605

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-ethylhexanoyl)-2,6-difluorophenyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[4-(2-ethylhexanoyl)-2,6-difluorophenyl]-2,2-dimethylpropanamide (CID 58779683) is N-[4-(2-ethylhexanoyl)-2,6-difluorophenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[4-(2-ethylhexanoyl)-2,6-difluorophenyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[4-(2-ethylhexanoyl)-2,6-difluorophenyl]-2,2-dimethylpropanamide is CCCCC(CC)C(=O)c1cc(F)c(NC(=O)C(C)(C)C)c(F)c1.
What is the InChIKey of N-[4-(2-ethylhexanoyl)-2,6-difluorophenyl]-2,2-dimethylpropanamide?
The InChIKey is LBDLNBNPDPDHGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27F2NO2/c1-6-8-9-12(7-2)17(23)13-10-14(20)16(15(21)11-13)22-18(24)19(3,4)5/h10-12H,6-9H2,1-5H3,(H,22,24).
What are the key properties of N-[4-(2-ethylhexanoyl)-2,6-difluorophenyl]-2,2-dimethylpropanamide?
N-[4-(2-ethylhexanoyl)-2,6-difluorophenyl]-2,2-dimethylpropanamide has a molecular weight of 339.43 g/mol, XLogP of 5.35, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-ethylhexanoyl)-2,6-difluorophenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 58779683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).