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

C17H17F2NO3 — CID 17455488

IUPACN-[[2-(difluoromethoxy)phenyl]methyl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NCc2ccccc2OC(F)F)cc1
InChIInChI=1S/C17H17F2NO3/c1-22-14-8-6-12(7-9-14)10-16(21)20-11-13-4-2-3-5-15(13)23-17(18)19/h2-9,17H,10-11H2,1H3,(H,20,21)
InChIKeyOQQQPRFBQOXKBZ-UHFFFAOYSA-N
MW321.32 g/mol
LogP3.16
Rot. Bonds7

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

N-[[2-(difluoromethoxy)phenyl]methyl]-2-(4-methoxyphenyl)acetamide (PubChem CID 17455488) has the molecular formula C17H17F2NO3 and a molecular weight of 321.32 g/mol. Its IUPAC name is N-[[2-(difluoromethoxy)phenyl]methyl]-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[[2-(difluoromethoxy)phenyl]methyl]-2-(4-methoxyphenyl)acetamide
PubChem CID17455488
Molecular FormulaC17H17F2NO3
Molecular Weight321.32 g/mol
Exact Mass321.12
IUPAC NameN-[[2-(difluoromethoxy)phenyl]methyl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NCc2ccccc2OC(F)F)cc1
InChIInChI=1S/C17H17F2NO3/c1-22-14-8-6-12(7-9-14)10-16(21)20-11-13-4-2-3-5-15(13)23-17(18)19/h2-9,17H,10-11H2,1H3,(H,20,21)
InChIKeyOQQQPRFBQOXKBZ-UHFFFAOYSA-N
XLogP3.16
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 ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-ethoxyphenyl)methyl]-2-(4-methoxyphenyl)acetamide
CID 38009470
N-[(2,3-dimethoxyphenyl)methyl]-2-(4-methoxyphenyl)acetamide
CID 46590636
N-[[2-(difluoromethoxy)phenyl]methyl]-2-(2-methoxy-5-methylphenyl)acetamide
CID 18143923
2-[4-(difluoromethoxy)phenyl]-N-[(2-methylphenyl)methyl]acetamide
CID 33181859
2-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 808183
3-bromo-N-[[2-(difluoromethoxy)phenyl]methyl]-2,5-dimethoxybenzamide
CID 25482014
N-[[2-(difluoromethoxy)phenyl]methyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119700388
N-benzyl-2-(4-methoxyphenyl)acetamide
CID 795936
2-[4-(difluoromethoxy)phenyl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 32734290
2-(4-methoxyphenyl)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]acetamide
CID 38555944
2-[4-(difluoromethoxy)phenyl]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 51200356
5-[[2-(difluoromethoxy)phenyl]methylamino]-3-methyl-5-oxopentanoic acid
CID 62965388

Frequently Asked Questions

What is the IUPAC name of N-[[2-(difluoromethoxy)phenyl]methyl]-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-[[2-(difluoromethoxy)phenyl]methyl]-2-(4-methoxyphenyl)acetamide (CID 17455488) is N-[[2-(difluoromethoxy)phenyl]methyl]-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-[[2-(difluoromethoxy)phenyl]methyl]-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-[[2-(difluoromethoxy)phenyl]methyl]-2-(4-methoxyphenyl)acetamide is COc1ccc(CC(=O)NCc2ccccc2OC(F)F)cc1.
What is the InChIKey of N-[[2-(difluoromethoxy)phenyl]methyl]-2-(4-methoxyphenyl)acetamide?
The InChIKey is OQQQPRFBQOXKBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2NO3/c1-22-14-8-6-12(7-9-14)10-16(21)20-11-13-4-2-3-5-15(13)23-17(18)19/h2-9,17H,10-11H2,1H3,(H,20,21).
What are the key properties of N-[[2-(difluoromethoxy)phenyl]methyl]-2-(4-methoxyphenyl)acetamide?
N-[[2-(difluoromethoxy)phenyl]methyl]-2-(4-methoxyphenyl)acetamide has a molecular weight of 321.32 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(difluoromethoxy)phenyl]methyl]-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 17455488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).