3-acetamido-4-methyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide

C19H19F3N2O3 — CID 86991144

IUPAC3-acetamido-4-methyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide
SMILESCC(=O)Nc1cc(C(=O)NCc2ccc(OCC(F)(F)F)cc2)ccc1C
InChIInChI=1S/C19H19F3N2O3/c1-12-3-6-15(9-17(12)24-13(2)25)18(26)23-10-14-4-7-16(8-5-14)27-11-19(20,21)22/h3-9H,10-11H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyRJLLSRIKHSUXTF-UHFFFAOYSA-N
MW380.37 g/mol
LogP3.82
Rot. Bonds6

About 3-acetamido-4-methyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide

3-acetamido-4-methyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide (PubChem CID 86991144) has the molecular formula C19H19F3N2O3 and a molecular weight of 380.37 g/mol. Its IUPAC name is 3-acetamido-4-methyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide.

Molecular Properties

Compound Name3-acetamido-4-methyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide
PubChem CID86991144
Molecular FormulaC19H19F3N2O3
Molecular Weight380.37 g/mol
Exact Mass380.13
IUPAC Name3-acetamido-4-methyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide
SMILESCC(=O)Nc1cc(C(=O)NCc2ccc(OCC(F)(F)F)cc2)ccc1C
InChIInChI=1S/C19H19F3N2O3/c1-12-3-6-15(9-17(12)24-13(2)25)18(26)23-10-14-4-7-16(8-5-14)27-11-19(20,21)22/h3-9H,10-11H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyRJLLSRIKHSUXTF-UHFFFAOYSA-N
XLogP3.82
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.37
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide
CID 60713140
3,5-difluoro-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide
CID 30293255
tert-butyl N-[3-[[4-(2,2,2-trifluoroethoxy)phenyl]methylcarbamoyl]phenyl]carbamate
CID 31166027
4-amino-3-nitro-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide
CID 46511788
4-[4-[[(3-acetamido-4-fluorobenzoyl)amino]methyl]phenoxy]butanoic acid
CID 119247084
2-(2-methylphenyl)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide
CID 30293543
N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]furan-3-carboxamide
CID 18149564
3-[(4-butoxybenzoyl)amino]-4-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 55785183
3-acetamido-N-ethyl-4-methylbenzamide
CID 47211029
3-acetamido-4-methyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 78876482
N-[4-methyl-3-[[4-(2,2,2-trifluoroethoxy)phenyl]methylsulfamoyl]phenyl]acetamide
CID 31113542
4-methoxy-3-(propan-2-ylsulfamoyl)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide
CID 24623168

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-4-methyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide?
The IUPAC name of 3-acetamido-4-methyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide (CID 86991144) is 3-acetamido-4-methyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide.
What is the SMILES notation for 3-acetamido-4-methyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide?
The canonical SMILES for 3-acetamido-4-methyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide is CC(=O)Nc1cc(C(=O)NCc2ccc(OCC(F)(F)F)cc2)ccc1C.
What is the InChIKey of 3-acetamido-4-methyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide?
The InChIKey is RJLLSRIKHSUXTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O3/c1-12-3-6-15(9-17(12)24-13(2)25)18(26)23-10-14-4-7-16(8-5-14)27-11-19(20,21)22/h3-9H,10-11H2,1-2H3,(H,23,26)(H,24,25).
What are the key properties of 3-acetamido-4-methyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide?
3-acetamido-4-methyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide has a molecular weight of 380.37 g/mol, XLogP of 3.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-4-methyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide is sourced from PubChem (CID 86991144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).