2-[4-(3-oxobutyl)phenoxy]-N-[4-(trifluoromethoxy)phenyl]acetamide

C19H18F3NO4 — CID 7643070

IUPAC2-[4-(3-oxobutyl)phenoxy]-N-[4-(trifluoromethoxy)phenyl]acetamide
SMILESCC(=O)CCc1ccc(OCC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C19H18F3NO4/c1-13(24)2-3-14-4-8-16(9-5-14)26-12-18(25)23-15-6-10-17(11-7-15)27-19(20,21)22/h4-11H,2-3,12H2,1H3,(H,23,25)
InChIKeyYDPZRENIILDVTP-UHFFFAOYSA-N
MW381.35 g/mol
LogP4.12
Rot. Bonds8

About 2-[4-(3-oxobutyl)phenoxy]-N-[4-(trifluoromethoxy)phenyl]acetamide

2-[4-(3-oxobutyl)phenoxy]-N-[4-(trifluoromethoxy)phenyl]acetamide (PubChem CID 7643070) has the molecular formula C19H18F3NO4 and a molecular weight of 381.35 g/mol. Its IUPAC name is 2-[4-(3-oxobutyl)phenoxy]-N-[4-(trifluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-(3-oxobutyl)phenoxy]-N-[4-(trifluoromethoxy)phenyl]acetamide
PubChem CID7643070
Molecular FormulaC19H18F3NO4
Molecular Weight381.35 g/mol
Exact Mass381.12
IUPAC Name2-[4-(3-oxobutyl)phenoxy]-N-[4-(trifluoromethoxy)phenyl]acetamide
SMILESCC(=O)CCc1ccc(OCC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C19H18F3NO4/c1-13(24)2-3-14-4-8-16(9-5-14)26-12-18(25)23-15-6-10-17(11-7-15)27-19(20,21)22/h4-11H,2-3,12H2,1H3,(H,23,25)
InChIKeyYDPZRENIILDVTP-UHFFFAOYSA-N
XLogP4.12
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.35
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxyphenoxy)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 2711310
[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 2-(4-ethylphenoxy)acetate
CID 7844920
[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 3-phenylpropanoate
CID 7958308
N-ethyl-2-[4-(3-oxobutyl)phenoxy]acetamide
CID 24701129
2-(4-acetamidophenoxy)-N-(4-acetamidophenyl)acetamide
CID 7203623
2-naphthalen-2-yloxy-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 1370829
2-[[2-(4-ethylphenoxy)acetyl]-methylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 9220516
[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 4-ethylbenzoate
CID 7364756
N-(2,6-diethylphenyl)-2-[4-(3-oxobutyl)phenoxy]acetamide
CID 7643132
N-(4-ethylphenyl)-2-(4-fluorophenoxy)acetamide
CID 893586
N-(4-methoxyphenyl)-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 46484833
16-[4-(trifluoromethoxy)phenyl]hexadecan-2-one
CID 70484420

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-oxobutyl)phenoxy]-N-[4-(trifluoromethoxy)phenyl]acetamide?
The IUPAC name of 2-[4-(3-oxobutyl)phenoxy]-N-[4-(trifluoromethoxy)phenyl]acetamide (CID 7643070) is 2-[4-(3-oxobutyl)phenoxy]-N-[4-(trifluoromethoxy)phenyl]acetamide.
What is the SMILES notation for 2-[4-(3-oxobutyl)phenoxy]-N-[4-(trifluoromethoxy)phenyl]acetamide?
The canonical SMILES for 2-[4-(3-oxobutyl)phenoxy]-N-[4-(trifluoromethoxy)phenyl]acetamide is CC(=O)CCc1ccc(OCC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1.
What is the InChIKey of 2-[4-(3-oxobutyl)phenoxy]-N-[4-(trifluoromethoxy)phenyl]acetamide?
The InChIKey is YDPZRENIILDVTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3NO4/c1-13(24)2-3-14-4-8-16(9-5-14)26-12-18(25)23-15-6-10-17(11-7-15)27-19(20,21)22/h4-11H,2-3,12H2,1H3,(H,23,25).
What are the key properties of 2-[4-(3-oxobutyl)phenoxy]-N-[4-(trifluoromethoxy)phenyl]acetamide?
2-[4-(3-oxobutyl)phenoxy]-N-[4-(trifluoromethoxy)phenyl]acetamide has a molecular weight of 381.35 g/mol, XLogP of 4.12, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-oxobutyl)phenoxy]-N-[4-(trifluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 7643070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).