N-[2-[2-ethoxy-5-(trifluoromethyl)anilino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide

C19H18F4N2O3 — CID 47898138

IUPACN-[2-[2-ethoxy-5-(trifluoromethyl)anilino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide
SMILESCCOc1ccc(C(F)(F)F)cc1NC(=O)CNC(=O)Cc1cccc(F)c1
InChIInChI=1S/C19H18F4N2O3/c1-2-28-16-7-6-13(19(21,22)23)10-15(16)25-18(27)11-24-17(26)9-12-4-3-5-14(20)8-12/h3-8,10H,2,9,11H2,1H3,(H,24,26)(H,25,27)
InChIKeyDWCNHVVUWDONLK-UHFFFAOYSA-N
MW398.36 g/mol
LogP3.54
Rot. Bonds7

About N-[2-[2-ethoxy-5-(trifluoromethyl)anilino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide

N-[2-[2-ethoxy-5-(trifluoromethyl)anilino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide (PubChem CID 47898138) has the molecular formula C19H18F4N2O3 and a molecular weight of 398.36 g/mol. Its IUPAC name is N-[2-[2-ethoxy-5-(trifluoromethyl)anilino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[2-[2-ethoxy-5-(trifluoromethyl)anilino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide
PubChem CID47898138
Molecular FormulaC19H18F4N2O3
Molecular Weight398.36 g/mol
Exact Mass398.13
IUPAC NameN-[2-[2-ethoxy-5-(trifluoromethyl)anilino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide
SMILESCCOc1ccc(C(F)(F)F)cc1NC(=O)CNC(=O)Cc1cccc(F)c1
InChIInChI=1S/C19H18F4N2O3/c1-2-28-16-7-6-13(19(21,22)23)10-15(16)25-18(27)11-24-17(26)9-12-4-3-5-14(20)8-12/h3-8,10H,2,9,11H2,1H3,(H,24,26)(H,25,27)
InChIKeyDWCNHVVUWDONLK-UHFFFAOYSA-N
XLogP3.54
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.36
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide
CID 113000083
N-(2,5-diethoxyphenyl)-2-(3-fluorophenyl)acetamide
CID 26179952
2-chloro-N-[2-ethoxy-5-(trifluoromethyl)phenyl]acetamide
CID 698335
N-[2-(2-ethoxyanilino)-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 112998798
2-[[2-ethoxy-5-(trifluoromethyl)phenyl]carbamoylamino]-N-(2-methylpropyl)acetamide
CID 49280392
N-[2-(3,4-diethoxyphenyl)ethyl]-2-(3-fluorophenyl)acetamide
CID 26120183
N-[2-ethoxy-5-(trifluoromethyl)phenyl]-2-methylsulfanylbenzamide
CID 1232472
N-[2-(ethylamino)-2-oxoethyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 9224353
N-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]-2-phenylacetamide
CID 113000074
N-[2-ethoxy-5-(trifluoromethyl)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 47073756
N-[2-ethoxy-5-(trifluoromethyl)phenyl]-3,4-dimethoxybenzamide
CID 1251443
N-(5-fluoro-2-methoxyphenyl)-2-(3-fluorophenyl)acetamide
CID 110776591

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-ethoxy-5-(trifluoromethyl)anilino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide?
The IUPAC name of N-[2-[2-ethoxy-5-(trifluoromethyl)anilino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide (CID 47898138) is N-[2-[2-ethoxy-5-(trifluoromethyl)anilino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide.
What is the SMILES notation for N-[2-[2-ethoxy-5-(trifluoromethyl)anilino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide?
The canonical SMILES for N-[2-[2-ethoxy-5-(trifluoromethyl)anilino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide is CCOc1ccc(C(F)(F)F)cc1NC(=O)CNC(=O)Cc1cccc(F)c1.
What is the InChIKey of N-[2-[2-ethoxy-5-(trifluoromethyl)anilino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide?
The InChIKey is DWCNHVVUWDONLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F4N2O3/c1-2-28-16-7-6-13(19(21,22)23)10-15(16)25-18(27)11-24-17(26)9-12-4-3-5-14(20)8-12/h3-8,10H,2,9,11H2,1H3,(H,24,26)(H,25,27).
What are the key properties of N-[2-[2-ethoxy-5-(trifluoromethyl)anilino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide?
N-[2-[2-ethoxy-5-(trifluoromethyl)anilino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide has a molecular weight of 398.36 g/mol, XLogP of 3.54, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-ethoxy-5-(trifluoromethyl)anilino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide is sourced from PubChem (CID 47898138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).