N-(2-ethylphenyl)-2-[2-(trifluoromethoxy)anilino]acetamide

C17H17F3N2O2 — CID 30644748

IUPACN-(2-ethylphenyl)-2-[2-(trifluoromethoxy)anilino]acetamide
SMILESCCc1ccccc1NC(=O)CNc1ccccc1OC(F)(F)F
InChIInChI=1S/C17H17F3N2O2/c1-2-12-7-3-4-8-13(12)22-16(23)11-21-14-9-5-6-10-15(14)24-17(18,19)20/h3-10,21H,2,11H2,1H3,(H,22,23)
InChIKeyBNTHRDWGWRCPDQ-UHFFFAOYSA-N
MW338.33 g/mol
LogP4.20
Rot. Bonds6

About N-(2-ethylphenyl)-2-[2-(trifluoromethoxy)anilino]acetamide

N-(2-ethylphenyl)-2-[2-(trifluoromethoxy)anilino]acetamide (PubChem CID 30644748) has the molecular formula C17H17F3N2O2 and a molecular weight of 338.33 g/mol. Its IUPAC name is N-(2-ethylphenyl)-2-[2-(trifluoromethoxy)anilino]acetamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-2-[2-(trifluoromethoxy)anilino]acetamide
PubChem CID30644748
Molecular FormulaC17H17F3N2O2
Molecular Weight338.33 g/mol
Exact Mass338.12
IUPAC NameN-(2-ethylphenyl)-2-[2-(trifluoromethoxy)anilino]acetamide
SMILESCCc1ccccc1NC(=O)CNc1ccccc1OC(F)(F)F
InChIInChI=1S/C17H17F3N2O2/c1-2-12-7-3-4-8-13(12)22-16(23)11-21-14-9-5-6-10-15(14)24-17(18,19)20/h3-10,21H,2,11H2,1H3,(H,22,23)
InChIKeyBNTHRDWGWRCPDQ-UHFFFAOYSA-N
XLogP4.20
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 ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[[2-[2-(trifluoromethoxy)anilino]acetyl]amino]benzoate
CID 30644453
methyl 2-[2-(trifluoromethoxy)anilino]acetate
CID 28577783
2-(2-ethylanilino)-N-(2-fluorophenyl)acetamide
CID 9105155
N-(cyclopropylmethyl)-2-[2-(trifluoromethoxy)anilino]acetamide
CID 28577768
3-(ethylamino)-N-[2-(trifluoromethoxy)phenyl]propanamide
CID 62832471
2-(2-methylphenyl)sulfanyl-N-[2-(trifluoromethoxy)phenyl]acetamide
CID 35202352
3-bromo-N-[2-(trifluoromethoxy)phenyl]propanamide
CID 112683678
N,N'-bis(2-ethylphenyl)propanediamide
CID 3881876
N-[(4-fluorophenyl)methyl]-2-[2-(trifluoromethoxy)anilino]acetamide
CID 30644517
2-(4-chloro-2,5-dimethoxyanilino)-N-(2-ethylphenyl)acetamide
CID 109007659
2-(2-ethyl-6-methylanilino)-N-(2-ethylphenyl)acetamide
CID 109007629
(Z)-3-methyl-4-[2-(trifluoromethoxy)anilino]but-2-enoic acid
CID 103233513

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-2-[2-(trifluoromethoxy)anilino]acetamide?
The IUPAC name of N-(2-ethylphenyl)-2-[2-(trifluoromethoxy)anilino]acetamide (CID 30644748) is N-(2-ethylphenyl)-2-[2-(trifluoromethoxy)anilino]acetamide.
What is the SMILES notation for N-(2-ethylphenyl)-2-[2-(trifluoromethoxy)anilino]acetamide?
The canonical SMILES for N-(2-ethylphenyl)-2-[2-(trifluoromethoxy)anilino]acetamide is CCc1ccccc1NC(=O)CNc1ccccc1OC(F)(F)F.
What is the InChIKey of N-(2-ethylphenyl)-2-[2-(trifluoromethoxy)anilino]acetamide?
The InChIKey is BNTHRDWGWRCPDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O2/c1-2-12-7-3-4-8-13(12)22-16(23)11-21-14-9-5-6-10-15(14)24-17(18,19)20/h3-10,21H,2,11H2,1H3,(H,22,23).
What are the key properties of N-(2-ethylphenyl)-2-[2-(trifluoromethoxy)anilino]acetamide?
N-(2-ethylphenyl)-2-[2-(trifluoromethoxy)anilino]acetamide has a molecular weight of 338.33 g/mol, XLogP of 4.20, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-2-[2-(trifluoromethoxy)anilino]acetamide is sourced from PubChem (CID 30644748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).