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

C17H17F3N2O2 — CID 54833710

IUPACN-(3-ethoxyphenyl)-2-[3-(trifluoromethyl)anilino]acetamide
SMILESCCOc1cccc(NC(=O)CNc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C17H17F3N2O2/c1-2-24-15-8-4-7-14(10-15)22-16(23)11-21-13-6-3-5-12(9-13)17(18,19)20/h3-10,21H,2,11H2,1H3,(H,22,23)
InChIKeyMFABGZMEWMIOOA-UHFFFAOYSA-N
MW338.33 g/mol
LogP4.15
Rot. Bonds6

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

N-(3-ethoxyphenyl)-2-[3-(trifluoromethyl)anilino]acetamide (PubChem CID 54833710) has the molecular formula C17H17F3N2O2 and a molecular weight of 338.33 g/mol. Its IUPAC name is N-(3-ethoxyphenyl)-2-[3-(trifluoromethyl)anilino]acetamide.

Molecular Properties

Compound NameN-(3-ethoxyphenyl)-2-[3-(trifluoromethyl)anilino]acetamide
PubChem CID54833710
Molecular FormulaC17H17F3N2O2
Molecular Weight338.33 g/mol
Exact Mass338.12
IUPAC NameN-(3-ethoxyphenyl)-2-[3-(trifluoromethyl)anilino]acetamide
SMILESCCOc1cccc(NC(=O)CNc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C17H17F3N2O2/c1-2-24-15-8-4-7-14(10-15)22-16(23)11-21-13-6-3-5-12(9-13)17(18,19)20/h3-10,21H,2,11H2,1H3,(H,22,23)
InChIKeyMFABGZMEWMIOOA-UHFFFAOYSA-N
XLogP4.15
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.33
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-ethoxyphenyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 878376
N-(3-propan-2-yloxyphenyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 54833563
N-[(3-ethoxyphenyl)methyl]-2-[3-(trifluoromethyl)anilino]acetamide
CID 56540336
2-anilino-N-(3-ethoxyphenyl)acetamide
CID 54810362
N-(3-methylphenyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 7409922
2-(3-ethoxyanilino)-N-[3-(2-methylpropoxy)phenyl]acetamide
CID 54826384
2-(3-ethoxyanilino)-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide
CID 54826557
N-[4-(2,2,2-trifluoroethoxy)phenyl]-2-[3-(trifluoromethyl)anilino]acetamide
CID 56550067
N-(4-hexoxyphenyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 54833824
2-(4-heptoxyanilino)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 54821633
2-(4-propan-2-yloxyanilino)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 54822451
3-[[2-(3-ethoxyanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide
CID 54840596

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxyphenyl)-2-[3-(trifluoromethyl)anilino]acetamide?
The IUPAC name of N-(3-ethoxyphenyl)-2-[3-(trifluoromethyl)anilino]acetamide (CID 54833710) is N-(3-ethoxyphenyl)-2-[3-(trifluoromethyl)anilino]acetamide.
What is the SMILES notation for N-(3-ethoxyphenyl)-2-[3-(trifluoromethyl)anilino]acetamide?
The canonical SMILES for N-(3-ethoxyphenyl)-2-[3-(trifluoromethyl)anilino]acetamide is CCOc1cccc(NC(=O)CNc2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of N-(3-ethoxyphenyl)-2-[3-(trifluoromethyl)anilino]acetamide?
The InChIKey is MFABGZMEWMIOOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O2/c1-2-24-15-8-4-7-14(10-15)22-16(23)11-21-13-6-3-5-12(9-13)17(18,19)20/h3-10,21H,2,11H2,1H3,(H,22,23).
What are the key properties of N-(3-ethoxyphenyl)-2-[3-(trifluoromethyl)anilino]acetamide?
N-(3-ethoxyphenyl)-2-[3-(trifluoromethyl)anilino]acetamide has a molecular weight of 338.33 g/mol, XLogP of 4.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxyphenyl)-2-[3-(trifluoromethyl)anilino]acetamide is sourced from PubChem (CID 54833710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).