N-(2,6-difluorophenyl)-2-(2-methoxyphenyl)-2-methylpropanamide

C17H17F2NO2 — CID 110438890

IUPACN-(2,6-difluorophenyl)-2-(2-methoxyphenyl)-2-methylpropanamide
SMILESCOc1ccccc1C(C)(C)C(=O)Nc1c(F)cccc1F
InChIInChI=1S/C17H17F2NO2/c1-17(2,11-7-4-5-10-14(11)22-3)16(21)20-15-12(18)8-6-9-13(15)19/h4-10H,1-3H3,(H,20,21)
InChIKeyWXMDKWAZJAVPKY-UHFFFAOYSA-N
MW305.32 g/mol
LogP3.89
Rot. Bonds4

About N-(2,6-difluorophenyl)-2-(2-methoxyphenyl)-2-methylpropanamide

N-(2,6-difluorophenyl)-2-(2-methoxyphenyl)-2-methylpropanamide (PubChem CID 110438890) has the molecular formula C17H17F2NO2 and a molecular weight of 305.32 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-2-(2-methoxyphenyl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-2-(2-methoxyphenyl)-2-methylpropanamide
PubChem CID110438890
Molecular FormulaC17H17F2NO2
Molecular Weight305.32 g/mol
Exact Mass305.12
IUPAC NameN-(2,6-difluorophenyl)-2-(2-methoxyphenyl)-2-methylpropanamide
SMILESCOc1ccccc1C(C)(C)C(=O)Nc1c(F)cccc1F
InChIInChI=1S/C17H17F2NO2/c1-17(2,11-7-4-5-10-14(11)22-3)16(21)20-15-12(18)8-6-9-13(15)19/h4-10H,1-3H3,(H,20,21)
InChIKeyWXMDKWAZJAVPKY-UHFFFAOYSA-N
XLogP3.89
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.32
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-2-(2-methoxyphenyl)-2-methylpropanamide?
The IUPAC name of N-(2,6-difluorophenyl)-2-(2-methoxyphenyl)-2-methylpropanamide (CID 110438890) is N-(2,6-difluorophenyl)-2-(2-methoxyphenyl)-2-methylpropanamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-2-(2-methoxyphenyl)-2-methylpropanamide?
The canonical SMILES for N-(2,6-difluorophenyl)-2-(2-methoxyphenyl)-2-methylpropanamide is COc1ccccc1C(C)(C)C(=O)Nc1c(F)cccc1F.
What is the InChIKey of N-(2,6-difluorophenyl)-2-(2-methoxyphenyl)-2-methylpropanamide?
The InChIKey is WXMDKWAZJAVPKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2NO2/c1-17(2,11-7-4-5-10-14(11)22-3)16(21)20-15-12(18)8-6-9-13(15)19/h4-10H,1-3H3,(H,20,21).
What are the key properties of N-(2,6-difluorophenyl)-2-(2-methoxyphenyl)-2-methylpropanamide?
N-(2,6-difluorophenyl)-2-(2-methoxyphenyl)-2-methylpropanamide has a molecular weight of 305.32 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-2-(2-methoxyphenyl)-2-methylpropanamide is sourced from PubChem (CID 110438890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).