N-[(4-fluoro-3-methylphenyl)methyl]-2-phenyl-2-(2,2,2-trifluoroethoxy)acetamide

C18H17F4NO2 — CID 47071502

IUPACN-[(4-fluoro-3-methylphenyl)methyl]-2-phenyl-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCc1cc(CNC(=O)C(OCC(F)(F)F)c2ccccc2)ccc1F
InChIInChI=1S/C18H17F4NO2/c1-12-9-13(7-8-15(12)19)10-23-17(24)16(25-11-18(20,21)22)14-5-3-2-4-6-14/h2-9,16H,10-11H2,1H3,(H,23,24)
InChIKeyWRQCTUOTQBDCAZ-UHFFFAOYSA-N
MW355.33 g/mol
LogP4.07
Rot. Bonds6

About N-[(4-fluoro-3-methylphenyl)methyl]-2-phenyl-2-(2,2,2-trifluoroethoxy)acetamide

N-[(4-fluoro-3-methylphenyl)methyl]-2-phenyl-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 47071502) has the molecular formula C18H17F4NO2 and a molecular weight of 355.33 g/mol. Its IUPAC name is N-[(4-fluoro-3-methylphenyl)methyl]-2-phenyl-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-[(4-fluoro-3-methylphenyl)methyl]-2-phenyl-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID47071502
Molecular FormulaC18H17F4NO2
Molecular Weight355.33 g/mol
Exact Mass355.12
IUPAC NameN-[(4-fluoro-3-methylphenyl)methyl]-2-phenyl-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCc1cc(CNC(=O)C(OCC(F)(F)F)c2ccccc2)ccc1F
InChIInChI=1S/C18H17F4NO2/c1-12-9-13(7-8-15(12)19)10-23-17(24)16(25-11-18(20,21)22)14-5-3-2-4-6-14/h2-9,16H,10-11H2,1H3,(H,23,24)
InChIKeyWRQCTUOTQBDCAZ-UHFFFAOYSA-N
XLogP4.07
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.33
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-3-methylphenyl)methyl]-2-phenyl-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-[(4-fluoro-3-methylphenyl)methyl]-2-phenyl-2-(2,2,2-trifluoroethoxy)acetamide (CID 47071502) is N-[(4-fluoro-3-methylphenyl)methyl]-2-phenyl-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-[(4-fluoro-3-methylphenyl)methyl]-2-phenyl-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-[(4-fluoro-3-methylphenyl)methyl]-2-phenyl-2-(2,2,2-trifluoroethoxy)acetamide is Cc1cc(CNC(=O)C(OCC(F)(F)F)c2ccccc2)ccc1F.
What is the InChIKey of N-[(4-fluoro-3-methylphenyl)methyl]-2-phenyl-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is WRQCTUOTQBDCAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F4NO2/c1-12-9-13(7-8-15(12)19)10-23-17(24)16(25-11-18(20,21)22)14-5-3-2-4-6-14/h2-9,16H,10-11H2,1H3,(H,23,24).
What are the key properties of N-[(4-fluoro-3-methylphenyl)methyl]-2-phenyl-2-(2,2,2-trifluoroethoxy)acetamide?
N-[(4-fluoro-3-methylphenyl)methyl]-2-phenyl-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 355.33 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-3-methylphenyl)methyl]-2-phenyl-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 47071502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).