N-[[4-(difluoromethoxy)phenyl]methyl]-2-(4-methylphenoxy)acetamide

C17H17F2NO3 — CID 42005185

IUPACN-[[4-(difluoromethoxy)phenyl]methyl]-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)NCc2ccc(OC(F)F)cc2)cc1
InChIInChI=1S/C17H17F2NO3/c1-12-2-6-14(7-3-12)22-11-16(21)20-10-13-4-8-15(9-5-13)23-17(18)19/h2-9,17H,10-11H2,1H3,(H,20,21)
InChIKeyLVLCBKJWTTXQLT-UHFFFAOYSA-N
MW321.32 g/mol
LogP3.29
Rot. Bonds7

About N-[[4-(difluoromethoxy)phenyl]methyl]-2-(4-methylphenoxy)acetamide

N-[[4-(difluoromethoxy)phenyl]methyl]-2-(4-methylphenoxy)acetamide (PubChem CID 42005185) has the molecular formula C17H17F2NO3 and a molecular weight of 321.32 g/mol. Its IUPAC name is N-[[4-(difluoromethoxy)phenyl]methyl]-2-(4-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[[4-(difluoromethoxy)phenyl]methyl]-2-(4-methylphenoxy)acetamide
PubChem CID42005185
Molecular FormulaC17H17F2NO3
Molecular Weight321.32 g/mol
Exact Mass321.12
IUPAC NameN-[[4-(difluoromethoxy)phenyl]methyl]-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)NCc2ccc(OC(F)F)cc2)cc1
InChIInChI=1S/C17H17F2NO3/c1-12-2-6-14(7-3-12)22-11-16(21)20-10-13-4-8-15(9-5-13)23-17(18)19/h2-9,17H,10-11H2,1H3,(H,20,21)
InChIKeyLVLCBKJWTTXQLT-UHFFFAOYSA-N
XLogP3.29
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.32
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methylphenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 43911022
2-(4-chlorophenoxy)-N-[[4-(difluoromethoxy)phenyl]methyl]acetamide
CID 42007084
N-[[4-(difluoromethoxy)phenyl]methyl]-2-(3-methylphenoxy)acetamide
CID 42007165
2-(4-chloro-3-methylphenoxy)-N-[[4-(difluoromethoxy)phenyl]methyl]acetamide
CID 42007347
2-(4-iodophenoxy)-N-[(4-methylphenyl)methyl]acetamide
CID 7473183
2-(4-cyanophenoxy)-N-[(4-methylphenyl)methyl]acetamide
CID 8781293
2-amino-N-[[4-(difluoromethoxy)phenyl]methyl]acetamide;hydrochloride
CID 119271340
N-[(4-methoxyphenyl)methyl]-2-[[2-(4-methylphenoxy)acetyl]amino]acetamide
CID 48501757
2-[4-(1,3-dithiolan-2-yl)phenoxy]-N-[(4-methylphenyl)methyl]acetamide
CID 9428045
2-phenoxy-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 28633501
N-[[4-(difluoromethoxy)phenyl]methyl]acetamide
CID 51072984
2-[4-(2-methylbutan-2-yl)phenoxy]-N-[(4-methylphenyl)methyl]acetamide
CID 46761744

Frequently Asked Questions

What is the IUPAC name of N-[[4-(difluoromethoxy)phenyl]methyl]-2-(4-methylphenoxy)acetamide?
The IUPAC name of N-[[4-(difluoromethoxy)phenyl]methyl]-2-(4-methylphenoxy)acetamide (CID 42005185) is N-[[4-(difluoromethoxy)phenyl]methyl]-2-(4-methylphenoxy)acetamide.
What is the SMILES notation for N-[[4-(difluoromethoxy)phenyl]methyl]-2-(4-methylphenoxy)acetamide?
The canonical SMILES for N-[[4-(difluoromethoxy)phenyl]methyl]-2-(4-methylphenoxy)acetamide is Cc1ccc(OCC(=O)NCc2ccc(OC(F)F)cc2)cc1.
What is the InChIKey of N-[[4-(difluoromethoxy)phenyl]methyl]-2-(4-methylphenoxy)acetamide?
The InChIKey is LVLCBKJWTTXQLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2NO3/c1-12-2-6-14(7-3-12)22-11-16(21)20-10-13-4-8-15(9-5-13)23-17(18)19/h2-9,17H,10-11H2,1H3,(H,20,21).
What are the key properties of N-[[4-(difluoromethoxy)phenyl]methyl]-2-(4-methylphenoxy)acetamide?
N-[[4-(difluoromethoxy)phenyl]methyl]-2-(4-methylphenoxy)acetamide has a molecular weight of 321.32 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(difluoromethoxy)phenyl]methyl]-2-(4-methylphenoxy)acetamide is sourced from PubChem (CID 42005185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).