2-(4-acetylphenoxy)-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]acetamide

C20H21F2NO5 — CID 17424738

IUPAC2-(4-acetylphenoxy)-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]acetamide
SMILESCOc1cc(CCNC(=O)COc2ccc(C(C)=O)cc2)ccc1OC(F)F
InChIInChI=1S/C20H21F2NO5/c1-13(24)15-4-6-16(7-5-15)27-12-19(25)23-10-9-14-3-8-17(28-20(21)22)18(11-14)26-2/h3-8,11,20H,9-10,12H2,1-2H3,(H,23,25)
InChIKeyGOUXZCUDUTWSJC-UHFFFAOYSA-N
MW393.39 g/mol
LogP3.24
Rot. Bonds10

About 2-(4-acetylphenoxy)-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]acetamide

2-(4-acetylphenoxy)-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]acetamide (PubChem CID 17424738) has the molecular formula C20H21F2NO5 and a molecular weight of 393.39 g/mol. Its IUPAC name is 2-(4-acetylphenoxy)-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]acetamide.

Molecular Properties

Compound Name2-(4-acetylphenoxy)-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]acetamide
PubChem CID17424738
Molecular FormulaC20H21F2NO5
Molecular Weight393.39 g/mol
Exact Mass393.14
IUPAC Name2-(4-acetylphenoxy)-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]acetamide
SMILESCOc1cc(CCNC(=O)COc2ccc(C(C)=O)cc2)ccc1OC(F)F
InChIInChI=1S/C20H21F2NO5/c1-13(24)15-4-6-16(7-5-15)27-12-19(25)23-10-9-14-3-8-17(28-20(21)22)18(11-14)26-2/h3-8,11,20H,9-10,12H2,1-2H3,(H,23,25)
InChIKeyGOUXZCUDUTWSJC-UHFFFAOYSA-N
XLogP3.24
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.39
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(difluoromethoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methoxybenzamide
CID 9246064
2-(4-acetyl-2-methoxyphenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 18161532
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(4-ethylphenoxy)acetamide
CID 9261479
N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-2-(3-nitrophenoxy)acetamide
CID 8587220
N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-3-methoxy-4-methylbenzamide
CID 8528927
4-acetyl-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]benzenesulfonamide
CID 8817900
2-(2-chloro-5-methylphenoxy)-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]acetamide
CID 9482433
[2-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethylamino]-2-oxoethyl] 3,4-difluorobenzoate
CID 9490830
N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-4-(methoxymethyl)benzamide
CID 9482427
N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanamide
CID 46613037
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-(dimethylamino)phenoxy]acetamide
CID 71745859
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-methylsulfanylphenoxy)acetamide
CID 7893707

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylphenoxy)-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]acetamide?
The IUPAC name of 2-(4-acetylphenoxy)-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]acetamide (CID 17424738) is 2-(4-acetylphenoxy)-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]acetamide.
What is the SMILES notation for 2-(4-acetylphenoxy)-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]acetamide?
The canonical SMILES for 2-(4-acetylphenoxy)-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]acetamide is COc1cc(CCNC(=O)COc2ccc(C(C)=O)cc2)ccc1OC(F)F.
What is the InChIKey of 2-(4-acetylphenoxy)-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]acetamide?
The InChIKey is GOUXZCUDUTWSJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2NO5/c1-13(24)15-4-6-16(7-5-15)27-12-19(25)23-10-9-14-3-8-17(28-20(21)22)18(11-14)26-2/h3-8,11,20H,9-10,12H2,1-2H3,(H,23,25).
What are the key properties of 2-(4-acetylphenoxy)-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]acetamide?
2-(4-acetylphenoxy)-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]acetamide has a molecular weight of 393.39 g/mol, XLogP of 3.24, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylphenoxy)-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]acetamide is sourced from PubChem (CID 17424738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).