2-(difluoromethoxy)-N-ethyl-3-methoxy-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide

C20H19F5N2O4 — CID 55344407

IUPAC2-(difluoromethoxy)-N-ethyl-3-methoxy-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide
SMILESCCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1cccc(OC)c1OC(F)F
InChIInChI=1S/C20H19F5N2O4/c1-3-27(11-16(28)26-14-9-5-4-8-13(14)20(23,24)25)18(29)12-7-6-10-15(30-2)17(12)31-19(21)22/h4-10,19H,3,11H2,1-2H3,(H,26,28)
InChIKeyJOSVDAXGZIRSFH-UHFFFAOYSA-N
MW446.37 g/mol
LogP4.42
Rot. Bonds8

About 2-(difluoromethoxy)-N-ethyl-3-methoxy-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide

2-(difluoromethoxy)-N-ethyl-3-methoxy-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide (PubChem CID 55344407) has the molecular formula C20H19F5N2O4 and a molecular weight of 446.37 g/mol. Its IUPAC name is 2-(difluoromethoxy)-N-ethyl-3-methoxy-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide.

Molecular Properties

Compound Name2-(difluoromethoxy)-N-ethyl-3-methoxy-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide
PubChem CID55344407
Molecular FormulaC20H19F5N2O4
Molecular Weight446.37 g/mol
Exact Mass446.13
IUPAC Name2-(difluoromethoxy)-N-ethyl-3-methoxy-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide
SMILESCCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1cccc(OC)c1OC(F)F
InChIInChI=1S/C20H19F5N2O4/c1-3-27(11-16(28)26-14-9-5-4-8-13(14)20(23,24)25)18(29)12-7-6-10-15(30-2)17(12)31-19(21)22/h4-10,19H,3,11H2,1-2H3,(H,26,28)
InChIKeyJOSVDAXGZIRSFH-UHFFFAOYSA-N
XLogP4.42
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.37
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(difluoromethoxy)-N-ethyl-3-methoxy-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide
CID 26356507
N-ethyl-2,4,5-trimethoxy-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide
CID 26357174
N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-2-(trifluoromethyl)benzamide
CID 26356947
2-[ethyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 7958698
2-(difluoromethoxy)-3-methoxy-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylbenzamide
CID 112790031
N-ethyl-2,5-difluoro-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide
CID 43018397
methyl 4-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]carbamoyl]benzoate
CID 26356542
N-ethyl-2-oxo-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-1H-pyridine-3-carboxamide
CID 18114448
N-ethyl-3-methoxy-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]butanamide
CID 51103434
3,4,5-triethoxy-N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide
CID 26356957
(E)-3-[4-(difluoromethoxy)phenyl]-N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]prop-2-enamide
CID 26356583
2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 113164597

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-N-ethyl-3-methoxy-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide?
The IUPAC name of 2-(difluoromethoxy)-N-ethyl-3-methoxy-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide (CID 55344407) is 2-(difluoromethoxy)-N-ethyl-3-methoxy-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide.
What is the SMILES notation for 2-(difluoromethoxy)-N-ethyl-3-methoxy-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide?
The canonical SMILES for 2-(difluoromethoxy)-N-ethyl-3-methoxy-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide is CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1cccc(OC)c1OC(F)F.
What is the InChIKey of 2-(difluoromethoxy)-N-ethyl-3-methoxy-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide?
The InChIKey is JOSVDAXGZIRSFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F5N2O4/c1-3-27(11-16(28)26-14-9-5-4-8-13(14)20(23,24)25)18(29)12-7-6-10-15(30-2)17(12)31-19(21)22/h4-10,19H,3,11H2,1-2H3,(H,26,28).
What are the key properties of 2-(difluoromethoxy)-N-ethyl-3-methoxy-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide?
2-(difluoromethoxy)-N-ethyl-3-methoxy-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide has a molecular weight of 446.37 g/mol, XLogP of 4.42, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-N-ethyl-3-methoxy-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide is sourced from PubChem (CID 55344407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).