N-(2,4-difluorophenyl)-2-(4-fluorophenoxy)-2-methylpropanamide

C16H14F3NO2 — CID 30854578

IUPACN-(2,4-difluorophenyl)-2-(4-fluorophenoxy)-2-methylpropanamide
SMILESCC(C)(Oc1ccc(F)cc1)C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C16H14F3NO2/c1-16(2,22-12-6-3-10(17)4-7-12)15(21)20-14-8-5-11(18)9-13(14)19/h3-9H,1-2H3,(H,20,21)
InChIKeyPBELXYDYBPMEDN-UHFFFAOYSA-N
MW309.29 g/mol
LogP3.90
Rot. Bonds4

About N-(2,4-difluorophenyl)-2-(4-fluorophenoxy)-2-methylpropanamide

N-(2,4-difluorophenyl)-2-(4-fluorophenoxy)-2-methylpropanamide (PubChem CID 30854578) has the molecular formula C16H14F3NO2 and a molecular weight of 309.29 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-(4-fluorophenoxy)-2-methylpropanamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2-(4-fluorophenoxy)-2-methylpropanamide
PubChem CID30854578
Molecular FormulaC16H14F3NO2
Molecular Weight309.29 g/mol
Exact Mass309.10
IUPAC NameN-(2,4-difluorophenyl)-2-(4-fluorophenoxy)-2-methylpropanamide
SMILESCC(C)(Oc1ccc(F)cc1)C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C16H14F3NO2/c1-16(2,22-12-6-3-10(17)4-7-12)15(21)20-14-8-5-11(18)9-13(14)19/h3-9H,1-2H3,(H,20,21)
InChIKeyPBELXYDYBPMEDN-UHFFFAOYSA-N
XLogP3.90
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.29
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromo-2-fluorophenyl)-2-(4-bromophenoxy)-2-methylpropanamide
CID 17099076
2-(4-fluorophenoxy)-N-(2-hydroxyphenyl)-2-methylpropanamide
CID 86978390
2-(4-fluorophenoxy)-2-methylpropanehydrazide
CID 43236623
N-(2,4-difluorophenyl)-N'-(4-fluorophenyl)-2,2-dimethylpropanediamide
CID 108968827
dimethyl 5-[[2-(4-fluorophenoxy)-2-methylpropanoyl]amino]benzene-1,3-dicarboxylate
CID 30855027
2-[4-[2-[(2,4-difluorophenyl)carbamoylamino]ethyl]phenoxy]-2-methylpropanoic acid
CID 10619640
N-[2-(2-amino-2-oxoethyl)phenyl]-2-(4-fluorophenoxy)-2-methylpropanamide
CID 86929205
4-chloro-3-[[2-(4-fluorophenoxy)-2-methylpropanoyl]amino]-N,N-dimethylbenzamide
CID 38956500
4-chloro-3-[[2-(4-fluorophenoxy)-2-methylpropanoyl]amino]-N-propan-2-ylbenzamide
CID 87026799
N-[3-[[2-(4-fluorophenoxy)-2-methylpropanoyl]amino]-4-methylphenyl]cyclopropanecarboxamide
CID 87001215
N-(4-chlorophenyl)-N'-(2,4-difluorophenyl)-2,2-dimethylpropanediamide
CID 108969011
1-(2,4-difluorophenyl)-3-(4-methoxy-2-methylphenyl)urea
CID 972200

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2-(4-fluorophenoxy)-2-methylpropanamide?
The IUPAC name of N-(2,4-difluorophenyl)-2-(4-fluorophenoxy)-2-methylpropanamide (CID 30854578) is N-(2,4-difluorophenyl)-2-(4-fluorophenoxy)-2-methylpropanamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-2-(4-fluorophenoxy)-2-methylpropanamide?
The canonical SMILES for N-(2,4-difluorophenyl)-2-(4-fluorophenoxy)-2-methylpropanamide is CC(C)(Oc1ccc(F)cc1)C(=O)Nc1ccc(F)cc1F.
What is the InChIKey of N-(2,4-difluorophenyl)-2-(4-fluorophenoxy)-2-methylpropanamide?
The InChIKey is PBELXYDYBPMEDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3NO2/c1-16(2,22-12-6-3-10(17)4-7-12)15(21)20-14-8-5-11(18)9-13(14)19/h3-9H,1-2H3,(H,20,21).
What are the key properties of N-(2,4-difluorophenyl)-2-(4-fluorophenoxy)-2-methylpropanamide?
N-(2,4-difluorophenyl)-2-(4-fluorophenoxy)-2-methylpropanamide has a molecular weight of 309.29 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-2-(4-fluorophenoxy)-2-methylpropanamide is sourced from PubChem (CID 30854578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).