2-[(4-fluorophenyl)methyl-methylamino]-N-[4-(trifluoromethyl)phenyl]acetamide

C17H16F4N2O — CID 9251999

IUPAC2-[(4-fluorophenyl)methyl-methylamino]-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESCN(CC(=O)Nc1ccc(C(F)(F)F)cc1)Cc1ccc(F)cc1
InChIInChI=1S/C17H16F4N2O/c1-23(10-12-2-6-14(18)7-3-12)11-16(24)22-15-8-4-13(5-9-15)17(19,20)21/h2-9H,10-11H2,1H3,(H,22,24)
InChIKeyFIGVPTHWUJWVMP-UHFFFAOYSA-N
MW340.32 g/mol
LogP3.91
Rot. Bonds5

About 2-[(4-fluorophenyl)methyl-methylamino]-N-[4-(trifluoromethyl)phenyl]acetamide

2-[(4-fluorophenyl)methyl-methylamino]-N-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 9251999) has the molecular formula C17H16F4N2O and a molecular weight of 340.32 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl-methylamino]-N-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl-methylamino]-N-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID9251999
Molecular FormulaC17H16F4N2O
Molecular Weight340.32 g/mol
Exact Mass340.12
IUPAC Name2-[(4-fluorophenyl)methyl-methylamino]-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESCN(CC(=O)Nc1ccc(C(F)(F)F)cc1)Cc1ccc(F)cc1
InChIInChI=1S/C17H16F4N2O/c1-23(10-12-2-6-14(18)7-3-12)11-16(24)22-15-8-4-13(5-9-15)17(19,20)21/h2-9H,10-11H2,1H3,(H,22,24)
InChIKeyFIGVPTHWUJWVMP-UHFFFAOYSA-N
XLogP3.91
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.32
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-bromophenyl)methyl-methylamino]-N-(4-fluorophenyl)acetamide
CID 9253204
N-(2,5-difluorophenyl)-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetamide
CID 2575958
2-[(4-fluorophenyl)methyl-methylamino]-N-(4-propan-2-ylphenyl)acetamide
CID 9251924
N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-4-(trifluoromethyl)benzamide
CID 8503139
N-(3,4-difluorophenyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide
CID 2658802
N-(5-chloro-2-fluorophenyl)-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetamide
CID 9221530
2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 113164436
2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 8798546
3-(4-fluorophenyl)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 27844351
2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 9103147
N-(3-fluorophenyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide
CID 2714145
N-(2-acetylphenyl)-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetamide
CID 9221698

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl-methylamino]-N-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[(4-fluorophenyl)methyl-methylamino]-N-[4-(trifluoromethyl)phenyl]acetamide (CID 9251999) is 2-[(4-fluorophenyl)methyl-methylamino]-N-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl-methylamino]-N-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[(4-fluorophenyl)methyl-methylamino]-N-[4-(trifluoromethyl)phenyl]acetamide is CN(CC(=O)Nc1ccc(C(F)(F)F)cc1)Cc1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)methyl-methylamino]-N-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is FIGVPTHWUJWVMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F4N2O/c1-23(10-12-2-6-14(18)7-3-12)11-16(24)22-15-8-4-13(5-9-15)17(19,20)21/h2-9H,10-11H2,1H3,(H,22,24).
What are the key properties of 2-[(4-fluorophenyl)methyl-methylamino]-N-[4-(trifluoromethyl)phenyl]acetamide?
2-[(4-fluorophenyl)methyl-methylamino]-N-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 340.32 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl-methylamino]-N-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 9251999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).