4-(acetamidomethyl)-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide

C19H19F3N2O3 — CID 38075934

IUPAC4-(acetamidomethyl)-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
SMILESCC(=O)NCc1ccc(C(=O)N(C)Cc2ccccc2OC(F)(F)F)cc1
InChIInChI=1S/C19H19F3N2O3/c1-13(25)23-11-14-7-9-15(10-8-14)18(26)24(2)12-16-5-3-4-6-17(16)27-19(20,21)22/h3-10H,11-12H2,1-2H3,(H,23,25)
InChIKeyZHUVFHWKKCJHSS-UHFFFAOYSA-N
MW380.37 g/mol
LogP3.49
Rot. Bonds6

About 4-(acetamidomethyl)-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide

4-(acetamidomethyl)-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide (PubChem CID 38075934) has the molecular formula C19H19F3N2O3 and a molecular weight of 380.37 g/mol. Its IUPAC name is 4-(acetamidomethyl)-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-(acetamidomethyl)-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
PubChem CID38075934
Molecular FormulaC19H19F3N2O3
Molecular Weight380.37 g/mol
Exact Mass380.13
IUPAC Name4-(acetamidomethyl)-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
SMILESCC(=O)NCc1ccc(C(=O)N(C)Cc2ccccc2OC(F)(F)F)cc1
InChIInChI=1S/C19H19F3N2O3/c1-13(25)23-11-14-7-9-15(10-8-14)18(26)24(2)12-16-5-3-4-6-17(16)27-19(20,21)22/h3-10H,11-12H2,1-2H3,(H,23,25)
InChIKeyZHUVFHWKKCJHSS-UHFFFAOYSA-N
XLogP3.49
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.37
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-4-(methylsulfonylmethyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
CID 38075020
4-(cyclopropanecarbonylamino)-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
CID 38258141
N-methyl-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
CID 134047601
N-methyl-4-(prop-2-ynylsulfamoyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
CID 38076715
3-bromo-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
CID 52560868
4-(acetamidomethyl)-N-methyl-N-[(2-nitrophenyl)methyl]benzamide
CID 46412770
3-(1,3-benzodioxol-5-ylmethyl)-1-methyl-1-[[2-(trifluoromethoxy)phenyl]methyl]urea
CID 86984485
N-methyl-3-(4-methylphenyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide
CID 55550183
5-bromo-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide
CID 55550717
3-methoxy-N-methyl-4-propan-2-yloxy-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
CID 46539241
N-methyl-2-(4-methylphenyl)-2-oxo-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 47021295
2-amino-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 119278536

Frequently Asked Questions

What is the IUPAC name of 4-(acetamidomethyl)-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide?
The IUPAC name of 4-(acetamidomethyl)-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide (CID 38075934) is 4-(acetamidomethyl)-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide.
What is the SMILES notation for 4-(acetamidomethyl)-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide?
The canonical SMILES for 4-(acetamidomethyl)-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide is CC(=O)NCc1ccc(C(=O)N(C)Cc2ccccc2OC(F)(F)F)cc1.
What is the InChIKey of 4-(acetamidomethyl)-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide?
The InChIKey is ZHUVFHWKKCJHSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O3/c1-13(25)23-11-14-7-9-15(10-8-14)18(26)24(2)12-16-5-3-4-6-17(16)27-19(20,21)22/h3-10H,11-12H2,1-2H3,(H,23,25).
What are the key properties of 4-(acetamidomethyl)-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide?
4-(acetamidomethyl)-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide has a molecular weight of 380.37 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(acetamidomethyl)-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide is sourced from PubChem (CID 38075934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).