2-(2-methylphenyl)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide

C18H18F3NO2 — CID 30293543

IUPAC2-(2-methylphenyl)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide
SMILESCc1ccccc1CC(=O)NCc1ccc(OCC(F)(F)F)cc1
InChIInChI=1S/C18H18F3NO2/c1-13-4-2-3-5-15(13)10-17(23)22-11-14-6-8-16(9-7-14)24-12-18(19,20)21/h2-9H,10-12H2,1H3,(H,22,23)
InChIKeyFZGSGEBJXVEALR-UHFFFAOYSA-N
MW337.34 g/mol
LogP3.80
Rot. Bonds6

About 2-(2-methylphenyl)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide

2-(2-methylphenyl)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide (PubChem CID 30293543) has the molecular formula C18H18F3NO2 and a molecular weight of 337.34 g/mol. Its IUPAC name is 2-(2-methylphenyl)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(2-methylphenyl)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide
PubChem CID30293543
Molecular FormulaC18H18F3NO2
Molecular Weight337.34 g/mol
Exact Mass337.13
IUPAC Name2-(2-methylphenyl)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide
SMILESCc1ccccc1CC(=O)NCc1ccc(OCC(F)(F)F)cc1
InChIInChI=1S/C18H18F3NO2/c1-13-4-2-3-5-15(13)10-17(23)22-11-14-6-8-16(9-7-14)24-12-18(19,20)21/h2-9H,10-12H2,1H3,(H,22,23)
InChIKeyFZGSGEBJXVEALR-UHFFFAOYSA-N
XLogP3.80
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.34
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 25402863
2-[2-(methanesulfonamido)phenyl]-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide
CID 86934968
2-bromo-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide
CID 55257440
2-amino-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide;hydrochloride
CID 119277633
N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide
CID 60713140
2-(methylamino)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide;hydrochloride
CID 119701626
2-(ethylamino)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide
CID 60718885
2-(2-methylphenyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 51072880
methyl 4-[[[2-(2-methylphenyl)acetyl]amino]methyl]benzoate
CID 18189793
2-(2-methylphenyl)-N-[[4-(phenylmethoxymethyl)phenyl]methyl]acetamide
CID 46464858
2-ethoxy-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide
CID 30293453
2-amino-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]propanamide;hydrochloride
CID 119277641

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide?
The IUPAC name of 2-(2-methylphenyl)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide (CID 30293543) is 2-(2-methylphenyl)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(2-methylphenyl)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide?
The canonical SMILES for 2-(2-methylphenyl)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide is Cc1ccccc1CC(=O)NCc1ccc(OCC(F)(F)F)cc1.
What is the InChIKey of 2-(2-methylphenyl)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide?
The InChIKey is FZGSGEBJXVEALR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3NO2/c1-13-4-2-3-5-15(13)10-17(23)22-11-14-6-8-16(9-7-14)24-12-18(19,20)21/h2-9H,10-12H2,1H3,(H,22,23).
What are the key properties of 2-(2-methylphenyl)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide?
2-(2-methylphenyl)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide has a molecular weight of 337.34 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide is sourced from PubChem (CID 30293543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).