3-(4-methoxyphenyl)-N-[2-(trifluoromethyl)phenyl]propanamide

C17H16F3NO2 — CID 674575

IUPAC3-(4-methoxyphenyl)-N-[2-(trifluoromethyl)phenyl]propanamide
SMILESCOc1ccc(CCC(=O)Nc2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C17H16F3NO2/c1-23-13-9-6-12(7-10-13)8-11-16(22)21-15-5-3-2-4-14(15)17(18,19)20/h2-7,9-10H,8,11H2,1H3,(H,21,22)
InChIKeyLJNNRAMZWPEVNK-UHFFFAOYSA-N
MW323.31 g/mol
LogP4.29
Rot. Bonds5

About 3-(4-methoxyphenyl)-N-[2-(trifluoromethyl)phenyl]propanamide

3-(4-methoxyphenyl)-N-[2-(trifluoromethyl)phenyl]propanamide (PubChem CID 674575) has the molecular formula C17H16F3NO2 and a molecular weight of 323.31 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-[2-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-[2-(trifluoromethyl)phenyl]propanamide
PubChem CID674575
Molecular FormulaC17H16F3NO2
Molecular Weight323.31 g/mol
Exact Mass323.11
IUPAC Name3-(4-methoxyphenyl)-N-[2-(trifluoromethyl)phenyl]propanamide
SMILESCOc1ccc(CCC(=O)Nc2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C17H16F3NO2/c1-23-13-9-6-12(7-10-13)8-11-16(22)21-15-5-3-2-4-14(15)17(18,19)20/h2-7,9-10H,8,11H2,1H3,(H,21,22)
InChIKeyLJNNRAMZWPEVNK-UHFFFAOYSA-N
XLogP4.29
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 ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-[2-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 3-(4-methoxyphenyl)-N-[2-(trifluoromethyl)phenyl]propanamide (CID 674575) is 3-(4-methoxyphenyl)-N-[2-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-[2-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 3-(4-methoxyphenyl)-N-[2-(trifluoromethyl)phenyl]propanamide is COc1ccc(CCC(=O)Nc2ccccc2C(F)(F)F)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-[2-(trifluoromethyl)phenyl]propanamide?
The InChIKey is LJNNRAMZWPEVNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3NO2/c1-23-13-9-6-12(7-10-13)8-11-16(22)21-15-5-3-2-4-14(15)17(18,19)20/h2-7,9-10H,8,11H2,1H3,(H,21,22).
What are the key properties of 3-(4-methoxyphenyl)-N-[2-(trifluoromethyl)phenyl]propanamide?
3-(4-methoxyphenyl)-N-[2-(trifluoromethyl)phenyl]propanamide has a molecular weight of 323.31 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-[2-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 674575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).