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

C17H16F3NO2 — CID 51272108

IUPACN-[(2-methoxyphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESCOc1ccccc1CNC(=O)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H16F3NO2/c1-23-15-5-3-2-4-13(15)11-21-16(22)10-12-6-8-14(9-7-12)17(18,19)20/h2-9H,10-11H2,1H3,(H,21,22)
InChIKeySGXJRVYOIHKUDQ-UHFFFAOYSA-N
MW323.31 g/mol
LogP3.57
Rot. Bonds5

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

N-[(2-methoxyphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 51272108) has the molecular formula C17H16F3NO2 and a molecular weight of 323.31 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID51272108
Molecular FormulaC17H16F3NO2
Molecular Weight323.31 g/mol
Exact Mass323.11
IUPAC NameN-[(2-methoxyphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESCOc1ccccc1CNC(=O)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H16F3NO2/c1-23-15-5-3-2-4-13(15)11-21-16(22)10-12-6-8-14(9-7-12)17(18,19)20/h2-9H,10-11H2,1H3,(H,21,22)
InChIKeySGXJRVYOIHKUDQ-UHFFFAOYSA-N
XLogP3.57
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.31
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 808183
N-[(2-methoxyphenyl)methyl]-2-(4-methylsulfanylphenyl)acetamide
CID 110771215
N-[[2-(ethoxymethyl)phenyl]methyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 55596990
2-(3,4-dimethoxyphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 27052353
N-[(2-methoxyphenyl)methyl]-3-(trifluoromethyl)benzamide
CID 2713294
N-[(2-methoxyphenyl)methyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 2713308
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate
CID 8013869
4-tert-butyl-N-[(2-methoxyphenyl)methyl]benzamide
CID 795553
2-(2-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 25402863
1-[[2-(4-fluorophenyl)acetyl]amino]-3-[(2-methoxyphenyl)methyl]urea
CID 41182201
2-(3-chloro-4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 110767041
2-(4-ethylphenyl)-3,3,3-trifluoro-2-hydroxy-N-[(2-methoxyphenyl)methyl]propanamide
CID 102223986

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide (CID 51272108) is N-[(2-methoxyphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide is COc1ccccc1CNC(=O)Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is SGXJRVYOIHKUDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3NO2/c1-23-15-5-3-2-4-13(15)11-21-16(22)10-12-6-8-14(9-7-12)17(18,19)20/h2-9H,10-11H2,1H3,(H,21,22).
What are the key properties of N-[(2-methoxyphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide?
N-[(2-methoxyphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 323.31 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 51272108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).