N-(2,4-difluorophenyl)-N-(6-hydroxyhexyl)-2,2-dimethylpropanamide

C17H25F2NO2 — CID 71580940

IUPACN-(2,4-difluorophenyl)-N-(6-hydroxyhexyl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)N(CCCCCCO)c1ccc(F)cc1F
InChIInChI=1S/C17H25F2NO2/c1-17(2,3)16(22)20(10-6-4-5-7-11-21)15-9-8-13(18)12-14(15)19/h8-9,12,21H,4-7,10-11H2,1-3H3
InChIKeyFZWYYDCNGPJVGS-UHFFFAOYSA-N
MW313.39 g/mol
LogP3.90
Rot. Bonds7

About N-(2,4-difluorophenyl)-N-(6-hydroxyhexyl)-2,2-dimethylpropanamide

N-(2,4-difluorophenyl)-N-(6-hydroxyhexyl)-2,2-dimethylpropanamide (PubChem CID 71580940) has the molecular formula C17H25F2NO2 and a molecular weight of 313.39 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-N-(6-hydroxyhexyl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-N-(6-hydroxyhexyl)-2,2-dimethylpropanamide
PubChem CID71580940
Molecular FormulaC17H25F2NO2
Molecular Weight313.39 g/mol
Exact Mass313.19
IUPAC NameN-(2,4-difluorophenyl)-N-(6-hydroxyhexyl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)N(CCCCCCO)c1ccc(F)cc1F
InChIInChI=1S/C17H25F2NO2/c1-17(2,3)16(22)20(10-6-4-5-7-11-21)15-9-8-13(18)12-14(15)19/h8-9,12,21H,4-7,10-11H2,1-3H3
InChIKeyFZWYYDCNGPJVGS-UHFFFAOYSA-N
XLogP3.90
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.39
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2,4-difluorophenyl)-2,2-dimethyl-N-(6-oxohexyl)propanamide
CID 71579565
N-(2,4-difluorophenyl)-2,2-dimethyl-N-(3-phenylpropyl)propanamide
CID 19980945
N-butyl-N-(2,4-difluorophenyl)benzamide;titanium
CID 174382924
N-(2,4-difluorophenyl)-N-(3-ethylheptyl)-2,2-dimethylpentanamide;titanium
CID 174394357
3-(N-acetyl-2,4-difluoroanilino)propanoic acid
CID 28764816
2,4-difluoro-1-[hexadecyl(sulfino)amino]benzene
CID 174372553
2-(N-acetyl-2,4-difluoroanilino)acetic acid
CID 28766218
N-butyl-N-(2,4-difluorobenzene-3-id-1-yl)-2,2-dimethylpropanamide;titanium
CID 174383944
tert-butyl N-[2-(N-acetyl-2,4-difluoroanilino)ethyl]carbamate
CID 113063345
2,4-difluoro-N-hexyl-N-nonylaniline
CID 22637380
2,4,6-trifluoro-N-(5-hydroxypentyl)-N-methylbenzamide
CID 107202076
N-[(2,4-difluorophenyl)methyl]-N,2,2-trimethylpropanamide
CID 60725238

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-N-(6-hydroxyhexyl)-2,2-dimethylpropanamide?
The IUPAC name of N-(2,4-difluorophenyl)-N-(6-hydroxyhexyl)-2,2-dimethylpropanamide (CID 71580940) is N-(2,4-difluorophenyl)-N-(6-hydroxyhexyl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-N-(6-hydroxyhexyl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(2,4-difluorophenyl)-N-(6-hydroxyhexyl)-2,2-dimethylpropanamide is CC(C)(C)C(=O)N(CCCCCCO)c1ccc(F)cc1F.
What is the InChIKey of N-(2,4-difluorophenyl)-N-(6-hydroxyhexyl)-2,2-dimethylpropanamide?
The InChIKey is FZWYYDCNGPJVGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F2NO2/c1-17(2,3)16(22)20(10-6-4-5-7-11-21)15-9-8-13(18)12-14(15)19/h8-9,12,21H,4-7,10-11H2,1-3H3.
What are the key properties of N-(2,4-difluorophenyl)-N-(6-hydroxyhexyl)-2,2-dimethylpropanamide?
N-(2,4-difluorophenyl)-N-(6-hydroxyhexyl)-2,2-dimethylpropanamide has a molecular weight of 313.39 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-N-(6-hydroxyhexyl)-2,2-dimethylpropanamide is sourced from PubChem (CID 71580940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).