N-[[4-(difluoromethoxy)phenyl]methyl]-2-(3-methylphenoxy)acetamide

C17H17F2NO3 — CID 42007165

IUPACN-[[4-(difluoromethoxy)phenyl]methyl]-2-(3-methylphenoxy)acetamide
SMILESCc1cccc(OCC(=O)NCc2ccc(OC(F)F)cc2)c1
InChIInChI=1S/C17H17F2NO3/c1-12-3-2-4-15(9-12)22-11-16(21)20-10-13-5-7-14(8-6-13)23-17(18)19/h2-9,17H,10-11H2,1H3,(H,20,21)
InChIKeyLEAAIASEMPQWRI-UHFFFAOYSA-N
MW321.32 g/mol
LogP3.29
Rot. Bonds7

About N-[[4-(difluoromethoxy)phenyl]methyl]-2-(3-methylphenoxy)acetamide

N-[[4-(difluoromethoxy)phenyl]methyl]-2-(3-methylphenoxy)acetamide (PubChem CID 42007165) has the molecular formula C17H17F2NO3 and a molecular weight of 321.32 g/mol. Its IUPAC name is N-[[4-(difluoromethoxy)phenyl]methyl]-2-(3-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[[4-(difluoromethoxy)phenyl]methyl]-2-(3-methylphenoxy)acetamide
PubChem CID42007165
Molecular FormulaC17H17F2NO3
Molecular Weight321.32 g/mol
Exact Mass321.12
IUPAC NameN-[[4-(difluoromethoxy)phenyl]methyl]-2-(3-methylphenoxy)acetamide
SMILESCc1cccc(OCC(=O)NCc2ccc(OC(F)F)cc2)c1
InChIInChI=1S/C17H17F2NO3/c1-12-3-2-4-15(9-12)22-11-16(21)20-10-13-5-7-14(8-6-13)23-17(18)19/h2-9,17H,10-11H2,1H3,(H,20,21)
InChIKeyLEAAIASEMPQWRI-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

N-[[4-(difluoromethoxy)phenyl]methyl]-2-(4-methylphenoxy)acetamide
CID 42005185
2-(4-chloro-3-methylphenoxy)-N-[[4-(difluoromethoxy)phenyl]methyl]acetamide
CID 42007347
2-[4-(difluoromethoxy)phenyl]-N-[(3-methylphenyl)methyl]acetamide
CID 33280716
2-(4-chlorophenoxy)-N-[[4-(difluoromethoxy)phenyl]methyl]acetamide
CID 42007084
2-(3-acetylphenoxy)-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide
CID 78808116
[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(3-methylphenoxy)acetate
CID 2594688
2-[3-(1-hydroxyethyl)phenoxy]-N-[(4-methylphenyl)methyl]acetamide
CID 110884628
3-[[[2-(3-methylphenoxy)acetyl]amino]methyl]benzamide
CID 32636546
2-phenoxy-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 28633501
2-(4-methylphenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 43911022
2-(3-tert-butylphenoxy)-N-[(4-methylphenyl)methyl]acetamide
CID 112977555
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-(3-methylphenoxy)propanamide
CID 9261506

Frequently Asked Questions

What is the IUPAC name of N-[[4-(difluoromethoxy)phenyl]methyl]-2-(3-methylphenoxy)acetamide?
The IUPAC name of N-[[4-(difluoromethoxy)phenyl]methyl]-2-(3-methylphenoxy)acetamide (CID 42007165) is N-[[4-(difluoromethoxy)phenyl]methyl]-2-(3-methylphenoxy)acetamide.
What is the SMILES notation for N-[[4-(difluoromethoxy)phenyl]methyl]-2-(3-methylphenoxy)acetamide?
The canonical SMILES for N-[[4-(difluoromethoxy)phenyl]methyl]-2-(3-methylphenoxy)acetamide is Cc1cccc(OCC(=O)NCc2ccc(OC(F)F)cc2)c1.
What is the InChIKey of N-[[4-(difluoromethoxy)phenyl]methyl]-2-(3-methylphenoxy)acetamide?
The InChIKey is LEAAIASEMPQWRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2NO3/c1-12-3-2-4-15(9-12)22-11-16(21)20-10-13-5-7-14(8-6-13)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-(3-methylphenoxy)acetamide?
N-[[4-(difluoromethoxy)phenyl]methyl]-2-(3-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-(3-methylphenoxy)acetamide is sourced from PubChem (CID 42007165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).