2-[[4-(2,2,2-trifluoroethoxymethyl)benzoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide

C19H16F6N2O3 — CID 46451358

IUPAC2-[[4-(2,2,2-trifluoroethoxymethyl)benzoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
SMILESO=C(Nc1ccccc1C(=O)NCC(F)(F)F)c1ccc(COCC(F)(F)F)cc1
InChIInChI=1S/C19H16F6N2O3/c20-18(21,22)10-26-17(29)14-3-1-2-4-15(14)27-16(28)13-7-5-12(6-8-13)9-30-11-19(23,24)25/h1-8H,9-11H2,(H,26,29)(H,27,28)
InChIKeyDMFFNJNGZFXVMW-UHFFFAOYSA-N
MW434.34 g/mol
LogP4.31
Rot. Bonds7

About 2-[[4-(2,2,2-trifluoroethoxymethyl)benzoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide

2-[[4-(2,2,2-trifluoroethoxymethyl)benzoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 46451358) has the molecular formula C19H16F6N2O3 and a molecular weight of 434.34 g/mol. Its IUPAC name is 2-[[4-(2,2,2-trifluoroethoxymethyl)benzoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name2-[[4-(2,2,2-trifluoroethoxymethyl)benzoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID46451358
Molecular FormulaC19H16F6N2O3
Molecular Weight434.34 g/mol
Exact Mass434.11
IUPAC Name2-[[4-(2,2,2-trifluoroethoxymethyl)benzoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
SMILESO=C(Nc1ccccc1C(=O)NCC(F)(F)F)c1ccc(COCC(F)(F)F)cc1
InChIInChI=1S/C19H16F6N2O3/c20-18(21,22)10-26-17(29)14-3-1-2-4-15(14)27-16(28)13-7-5-12(6-8-13)9-30-11-19(23,24)25/h1-8H,9-11H2,(H,26,29)(H,27,28)
InChIKeyDMFFNJNGZFXVMW-UHFFFAOYSA-N
XLogP4.31
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.34
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[4-(dimethylsulfamoyl)benzoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 17426970
6-chloro-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 36661694
2-[[4-(propan-2-ylsulfamoyl)benzoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 55492050
N-(4-bromo-2-chlorophenyl)-4-(2,2,2-trifluoroethoxymethyl)benzamide
CID 24586847
2-[[3-(dimethylamino)benzoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 35966446
3-[[4-(2,2,2-trifluoroethoxymethyl)benzoyl]amino]benzamide
CID 46699470
N,N-dimethyl-3-[[4-(2,2,2-trifluoroethoxymethyl)benzoyl]amino]benzamide
CID 30379466
2-methyl-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]furan-3-carboxamide
CID 17417413
2-oxo-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]-1H-pyridine-3-carboxamide
CID 24599022
N-(3-phenoxypropyl)-4-(2,2,2-trifluoroethoxymethyl)benzamide
CID 55484171
N-(1,3-benzothiazol-2-yl)-4-(2,2,2-trifluoroethoxymethyl)benzamide
CID 35848386
2-[[4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 46543355

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2,2,2-trifluoroethoxymethyl)benzoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 2-[[4-(2,2,2-trifluoroethoxymethyl)benzoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide (CID 46451358) is 2-[[4-(2,2,2-trifluoroethoxymethyl)benzoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 2-[[4-(2,2,2-trifluoroethoxymethyl)benzoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 2-[[4-(2,2,2-trifluoroethoxymethyl)benzoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide is O=C(Nc1ccccc1C(=O)NCC(F)(F)F)c1ccc(COCC(F)(F)F)cc1.
What is the InChIKey of 2-[[4-(2,2,2-trifluoroethoxymethyl)benzoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is DMFFNJNGZFXVMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F6N2O3/c20-18(21,22)10-26-17(29)14-3-1-2-4-15(14)27-16(28)13-7-5-12(6-8-13)9-30-11-19(23,24)25/h1-8H,9-11H2,(H,26,29)(H,27,28).
What are the key properties of 2-[[4-(2,2,2-trifluoroethoxymethyl)benzoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide?
2-[[4-(2,2,2-trifluoroethoxymethyl)benzoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 434.34 g/mol, XLogP of 4.31, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2,2,2-trifluoroethoxymethyl)benzoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 46451358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).