N-methyl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide

C17H16F3NO — CID 90694637

IUPACN-methyl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide
SMILESCC(=O)N(C)Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C17H16F3NO/c1-12(22)21(2)11-13-3-5-14(6-4-13)15-7-9-16(10-8-15)17(18,19)20/h3-10H,11H2,1-2H3
InChIKeyYMHHQOOJFYWDQM-UHFFFAOYSA-N
MW307.32 g/mol
LogP4.35
Rot. Bonds3

About N-methyl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide

N-methyl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide (PubChem CID 90694637) has the molecular formula C17H16F3NO and a molecular weight of 307.32 g/mol. Its IUPAC name is N-methyl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide
PubChem CID90694637
Molecular FormulaC17H16F3NO
Molecular Weight307.32 g/mol
Exact Mass307.12
IUPAC NameN-methyl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide
SMILESCC(=O)N(C)Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C17H16F3NO/c1-12(22)21(2)11-13-3-5-14(6-4-13)15-7-9-16(10-8-15)17(18,19)20/h3-10H,11H2,1-2H3
InChIKeyYMHHQOOJFYWDQM-UHFFFAOYSA-N
XLogP4.35
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.32
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[4-[[acetyl(methyl)amino]methyl]phenyl]methyl]-N-methylacetamide
CID 20593123
N-methyl-1,1-dioxo-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]-2,5-dihydrothiophene-3-carboxamide
CID 177044165
3-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-3-oxopropanoic acid
CID 62231889
[4-(trifluoromethyl)phenyl] N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]carbamate
CID 177453696
ethyl N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]carbamate
CID 60636161
N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]hexa-2,4-dienamide
CID 102603438
2-(4-bromophenyl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 55330788
N',N'-diethyl-N-methyl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]ethane-1,2-diamine
CID 142134445
2-(4-methoxyphenyl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 78771326
2-(2-methoxyethoxy)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 103601917
2-amino-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]butanediamide
CID 61259468
N-methyl-1-(4-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine
CID 570902

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide?
The IUPAC name of N-methyl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide (CID 90694637) is N-methyl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide.
What is the SMILES notation for N-methyl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide?
The canonical SMILES for N-methyl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide is CC(=O)N(C)Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of N-methyl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide?
The InChIKey is YMHHQOOJFYWDQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3NO/c1-12(22)21(2)11-13-3-5-14(6-4-13)15-7-9-16(10-8-15)17(18,19)20/h3-10H,11H2,1-2H3.
What are the key properties of N-methyl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide?
N-methyl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide has a molecular weight of 307.32 g/mol, XLogP of 4.35, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide is sourced from PubChem (CID 90694637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).