N-(2,4-difluorophenyl)-2,2-dimethyl-N-(6-oxohexyl)propanamide

C17H23F2NO2 — CID 71579565

IUPACN-(2,4-difluorophenyl)-2,2-dimethyl-N-(6-oxohexyl)propanamide
SMILESCC(C)(C)C(=O)N(CCCCCC=O)c1ccc(F)cc1F
InChIInChI=1S/C17H23F2NO2/c1-17(2,3)16(22)20(10-6-4-5-7-11-21)15-9-8-13(18)12-14(15)19/h8-9,11-12H,4-7,10H2,1-3H3
InChIKeyMBLLNPZMKUWPAY-UHFFFAOYSA-N
MW311.37 g/mol
LogP4.10
Rot. Bonds7

About N-(2,4-difluorophenyl)-2,2-dimethyl-N-(6-oxohexyl)propanamide

N-(2,4-difluorophenyl)-2,2-dimethyl-N-(6-oxohexyl)propanamide (PubChem CID 71579565) has the molecular formula C17H23F2NO2 and a molecular weight of 311.37 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2,2-dimethyl-N-(6-oxohexyl)propanamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2,2-dimethyl-N-(6-oxohexyl)propanamide
PubChem CID71579565
Molecular FormulaC17H23F2NO2
Molecular Weight311.37 g/mol
Exact Mass311.17
IUPAC NameN-(2,4-difluorophenyl)-2,2-dimethyl-N-(6-oxohexyl)propanamide
SMILESCC(C)(C)C(=O)N(CCCCCC=O)c1ccc(F)cc1F
InChIInChI=1S/C17H23F2NO2/c1-17(2,3)16(22)20(10-6-4-5-7-11-21)15-9-8-13(18)12-14(15)19/h8-9,11-12H,4-7,10H2,1-3H3
InChIKeyMBLLNPZMKUWPAY-UHFFFAOYSA-N
XLogP4.10
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.37
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2,4-difluorophenyl)-N-(6-hydroxyhexyl)-2,2-dimethylpropanamide
CID 71580940
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-(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
N-[(2,4-difluorophenyl)methyl]-N,2,2-trimethylpropanamide
CID 60725238
2,4-difluoro-1-[hexadecyl(sulfino)amino]benzene
CID 174372553
3-[2,4-difluoro-N-(2-methylpropanoyl)anilino]-2-methylpropanoic acid
CID 82321057

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2,2-dimethyl-N-(6-oxohexyl)propanamide?
The IUPAC name of N-(2,4-difluorophenyl)-2,2-dimethyl-N-(6-oxohexyl)propanamide (CID 71579565) is N-(2,4-difluorophenyl)-2,2-dimethyl-N-(6-oxohexyl)propanamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-2,2-dimethyl-N-(6-oxohexyl)propanamide?
The canonical SMILES for N-(2,4-difluorophenyl)-2,2-dimethyl-N-(6-oxohexyl)propanamide is CC(C)(C)C(=O)N(CCCCCC=O)c1ccc(F)cc1F.
What is the InChIKey of N-(2,4-difluorophenyl)-2,2-dimethyl-N-(6-oxohexyl)propanamide?
The InChIKey is MBLLNPZMKUWPAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F2NO2/c1-17(2,3)16(22)20(10-6-4-5-7-11-21)15-9-8-13(18)12-14(15)19/h8-9,11-12H,4-7,10H2,1-3H3.
What are the key properties of N-(2,4-difluorophenyl)-2,2-dimethyl-N-(6-oxohexyl)propanamide?
N-(2,4-difluorophenyl)-2,2-dimethyl-N-(6-oxohexyl)propanamide has a molecular weight of 311.37 g/mol, XLogP of 4.10, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-2,2-dimethyl-N-(6-oxohexyl)propanamide is sourced from PubChem (CID 71579565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).