3,5-difluoro-N-(2-methoxyethyl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide

C19H17F5N2O3 — CID 8504506

IUPAC3,5-difluoro-N-(2-methoxyethyl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide
SMILESCOCCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1cc(F)cc(F)c1
InChIInChI=1S/C19H17F5N2O3/c1-29-7-6-26(18(28)12-8-13(20)10-14(21)9-12)11-17(27)25-16-5-3-2-4-15(16)19(22,23)24/h2-5,8-10H,6-7,11H2,1H3,(H,25,27)
InChIKeyBBUYDAJZYJDJIV-UHFFFAOYSA-N
MW416.35 g/mol
LogP3.71
Rot. Bonds7

About 3,5-difluoro-N-(2-methoxyethyl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide

3,5-difluoro-N-(2-methoxyethyl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide (PubChem CID 8504506) has the molecular formula C19H17F5N2O3 and a molecular weight of 416.35 g/mol. Its IUPAC name is 3,5-difluoro-N-(2-methoxyethyl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide.

Molecular Properties

Compound Name3,5-difluoro-N-(2-methoxyethyl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide
PubChem CID8504506
Molecular FormulaC19H17F5N2O3
Molecular Weight416.35 g/mol
Exact Mass416.12
IUPAC Name3,5-difluoro-N-(2-methoxyethyl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide
SMILESCOCCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1cc(F)cc(F)c1
InChIInChI=1S/C19H17F5N2O3/c1-29-7-6-26(18(28)12-8-13(20)10-14(21)9-12)11-17(27)25-16-5-3-2-4-15(16)19(22,23)24/h2-5,8-10H,6-7,11H2,1H3,(H,25,27)
InChIKeyBBUYDAJZYJDJIV-UHFFFAOYSA-N
XLogP3.71
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.35
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[acetyl(2-methoxyethyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 113159931
2-(dimethylamino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 21383101
methyl 4-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]carbamoyl]benzoate
CID 26356542
2-[ethyl(3-methoxypropylcarbamoyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 18552332
3,4,5-triethoxy-N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide
CID 26356957
N,4-diethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide
CID 9095226
N-ethyl-2,5-difluoro-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide
CID 43018397
N-(3-methoxypropyl)-2-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]acetamide
CID 51171639
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(2-methoxyethyl)-4-(trifluoromethylsulfanyl)benzamide
CID 17467417
N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]thiophene-3-carboxamide
CID 18114443
2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 113164597
3-bromo-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(2-methoxyethyl)benzamide
CID 17445264

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-(2-methoxyethyl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide?
The IUPAC name of 3,5-difluoro-N-(2-methoxyethyl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide (CID 8504506) is 3,5-difluoro-N-(2-methoxyethyl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide.
What is the SMILES notation for 3,5-difluoro-N-(2-methoxyethyl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide?
The canonical SMILES for 3,5-difluoro-N-(2-methoxyethyl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide is COCCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1cc(F)cc(F)c1.
What is the InChIKey of 3,5-difluoro-N-(2-methoxyethyl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide?
The InChIKey is BBUYDAJZYJDJIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F5N2O3/c1-29-7-6-26(18(28)12-8-13(20)10-14(21)9-12)11-17(27)25-16-5-3-2-4-15(16)19(22,23)24/h2-5,8-10H,6-7,11H2,1H3,(H,25,27).
What are the key properties of 3,5-difluoro-N-(2-methoxyethyl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide?
3,5-difluoro-N-(2-methoxyethyl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide has a molecular weight of 416.35 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-(2-methoxyethyl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide is sourced from PubChem (CID 8504506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).