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

C18H18F3NO3 — CID 46674282

IUPAC3-(4-methoxyphenyl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]propanamide
SMILESCOc1ccc(CCC(=O)Nc2ccc(OCC(F)(F)F)cc2)cc1
InChIInChI=1S/C18H18F3NO3/c1-24-15-7-2-13(3-8-15)4-11-17(23)22-14-5-9-16(10-6-14)25-12-18(19,20)21/h2-3,5-10H,4,11-12H2,1H3,(H,22,23)
InChIKeyLPFVREZCUWPNGF-UHFFFAOYSA-N
MW353.34 g/mol
LogP4.21
Rot. Bonds7

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

3-(4-methoxyphenyl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]propanamide (PubChem CID 46674282) has the molecular formula C18H18F3NO3 and a molecular weight of 353.34 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]propanamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]propanamide
PubChem CID46674282
Molecular FormulaC18H18F3NO3
Molecular Weight353.34 g/mol
Exact Mass353.12
IUPAC Name3-(4-methoxyphenyl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]propanamide
SMILESCOc1ccc(CCC(=O)Nc2ccc(OCC(F)(F)F)cc2)cc1
InChIInChI=1S/C18H18F3NO3/c1-24-15-7-2-13(3-8-15)4-11-17(23)22-14-5-9-16(10-6-14)25-12-18(19,20)21/h2-3,5-10H,4,11-12H2,1H3,(H,22,23)
InChIKeyLPFVREZCUWPNGF-UHFFFAOYSA-N
XLogP4.21
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.34
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(chloromethyl)phenyl]-3-(4-methoxyphenyl)propanamide
CID 114299962
N-[4-(cyanomethoxy)phenyl]-3-(4-methoxyphenyl)propanamide
CID 30873501
N-(4-methoxyphenyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 134005070
2-(4-acetamidophenyl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 134010386
3-(4-methoxyphenyl)-N-(4-propan-2-yloxyphenyl)propanamide
CID 19221042
N-(4-methoxyphenyl)-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 27228930
2-[[2-[4-[3-(4-methoxyphenyl)propanoylamino]phenyl]acetyl]amino]acetic acid
CID 119224448
2-(2-methoxyethoxy)-N-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 103606770
N-[4-(dimethylsulfamoyl)phenyl]-3-(4-methoxyphenyl)propanamide
CID 2440554
3-(4-methoxyphenyl)-N-[4-(piperidine-1-carbonyl)phenyl]propanamide
CID 17148804
3-(3,5-ditert-butyl-4-methylphenyl)-N-(4-methoxyphenyl)propanamide
CID 59266075
3-(4-methoxyphenyl)-N-[2-(2,2,2-trifluoroethylamino)phenyl]propanamide
CID 47829673

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]propanamide?
The IUPAC name of 3-(4-methoxyphenyl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]propanamide (CID 46674282) is 3-(4-methoxyphenyl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]propanamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]propanamide?
The canonical SMILES for 3-(4-methoxyphenyl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]propanamide is COc1ccc(CCC(=O)Nc2ccc(OCC(F)(F)F)cc2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]propanamide?
The InChIKey is LPFVREZCUWPNGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3NO3/c1-24-15-7-2-13(3-8-15)4-11-17(23)22-14-5-9-16(10-6-14)25-12-18(19,20)21/h2-3,5-10H,4,11-12H2,1H3,(H,22,23).
What are the key properties of 3-(4-methoxyphenyl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]propanamide?
3-(4-methoxyphenyl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]propanamide has a molecular weight of 353.34 g/mol, XLogP of 4.21, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]propanamide is sourced from PubChem (CID 46674282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).