N-[(3-ethoxyphenyl)methyl]-2-[3-(trifluoromethyl)anilino]acetamide

C18H19F3N2O2 — CID 56540336

IUPACN-[(3-ethoxyphenyl)methyl]-2-[3-(trifluoromethyl)anilino]acetamide
SMILESCCOc1cccc(CNC(=O)CNc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C18H19F3N2O2/c1-2-25-16-8-3-5-13(9-16)11-23-17(24)12-22-15-7-4-6-14(10-15)18(19,20)21/h3-10,22H,2,11-12H2,1H3,(H,23,24)
InChIKeyNOLPHMCLUVYAOE-UHFFFAOYSA-N
MW352.36 g/mol
LogP3.83
Rot. Bonds7

About N-[(3-ethoxyphenyl)methyl]-2-[3-(trifluoromethyl)anilino]acetamide

N-[(3-ethoxyphenyl)methyl]-2-[3-(trifluoromethyl)anilino]acetamide (PubChem CID 56540336) has the molecular formula C18H19F3N2O2 and a molecular weight of 352.36 g/mol. Its IUPAC name is N-[(3-ethoxyphenyl)methyl]-2-[3-(trifluoromethyl)anilino]acetamide.

Molecular Properties

Compound NameN-[(3-ethoxyphenyl)methyl]-2-[3-(trifluoromethyl)anilino]acetamide
PubChem CID56540336
Molecular FormulaC18H19F3N2O2
Molecular Weight352.36 g/mol
Exact Mass352.14
IUPAC NameN-[(3-ethoxyphenyl)methyl]-2-[3-(trifluoromethyl)anilino]acetamide
SMILESCCOc1cccc(CNC(=O)CNc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C18H19F3N2O2/c1-2-25-16-8-3-5-13(9-16)11-23-17(24)12-22-15-7-4-6-14(10-15)18(19,20)21/h3-10,22H,2,11-12H2,1H3,(H,23,24)
InChIKeyNOLPHMCLUVYAOE-UHFFFAOYSA-N
XLogP3.83
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.36
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-ethoxyphenyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 54833710
N-[(3-ethoxyphenyl)methyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 56548712
N-[[3-(phenylmethoxymethyl)phenyl]methyl]-2-[3-(trifluoromethyl)anilino]acetamide
CID 56546257
2-(tert-butylamino)-N-[(3-ethoxyphenyl)methyl]acetamide
CID 112730361
N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-2-[3-(trifluoromethyl)anilino]acetamide
CID 56553142
N-[(3-methoxy-4-propoxyphenyl)methyl]-2-[3-(trifluoromethyl)anilino]acetamide
CID 56553002
1-(3-ethoxyphenyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 878376
N-[[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-2-[3-(trifluoromethyl)anilino]acetamide
CID 56551338
N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-[3-(trifluoromethyl)anilino]acetamide
CID 56545552
N-(2-methoxyethyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 54833709
6-amino-N-[(3-ethoxyphenyl)methyl]-4,4-dimethylhexanamide
CID 65290667
N-[2-(4-methoxyphenoxy)ethyl]-2-[3-(trifluoromethyl)anilino]acetamide
CID 56540495

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethoxyphenyl)methyl]-2-[3-(trifluoromethyl)anilino]acetamide?
The IUPAC name of N-[(3-ethoxyphenyl)methyl]-2-[3-(trifluoromethyl)anilino]acetamide (CID 56540336) is N-[(3-ethoxyphenyl)methyl]-2-[3-(trifluoromethyl)anilino]acetamide.
What is the SMILES notation for N-[(3-ethoxyphenyl)methyl]-2-[3-(trifluoromethyl)anilino]acetamide?
The canonical SMILES for N-[(3-ethoxyphenyl)methyl]-2-[3-(trifluoromethyl)anilino]acetamide is CCOc1cccc(CNC(=O)CNc2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of N-[(3-ethoxyphenyl)methyl]-2-[3-(trifluoromethyl)anilino]acetamide?
The InChIKey is NOLPHMCLUVYAOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O2/c1-2-25-16-8-3-5-13(9-16)11-23-17(24)12-22-15-7-4-6-14(10-15)18(19,20)21/h3-10,22H,2,11-12H2,1H3,(H,23,24).
What are the key properties of N-[(3-ethoxyphenyl)methyl]-2-[3-(trifluoromethyl)anilino]acetamide?
N-[(3-ethoxyphenyl)methyl]-2-[3-(trifluoromethyl)anilino]acetamide has a molecular weight of 352.36 g/mol, XLogP of 3.83, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethoxyphenyl)methyl]-2-[3-(trifluoromethyl)anilino]acetamide is sourced from PubChem (CID 56540336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).