2-(4-fluorophenoxy)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]propanamide

C18H17F4NO3 — CID 43042680

IUPAC2-(4-fluorophenoxy)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]propanamide
SMILESCC(Oc1ccc(F)cc1)C(=O)NCc1ccc(OCC(F)(F)F)cc1
InChIInChI=1S/C18H17F4NO3/c1-12(26-16-8-4-14(19)5-9-16)17(24)23-10-13-2-6-15(7-3-13)25-11-18(20,21)22/h2-9,12H,10-11H2,1H3,(H,23,24)
InChIKeyDZLYTWYDFTZEGC-UHFFFAOYSA-N
MW371.33 g/mol
LogP3.85
Rot. Bonds7

About 2-(4-fluorophenoxy)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]propanamide

2-(4-fluorophenoxy)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]propanamide (PubChem CID 43042680) has the molecular formula C18H17F4NO3 and a molecular weight of 371.33 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]propanamide.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]propanamide
PubChem CID43042680
Molecular FormulaC18H17F4NO3
Molecular Weight371.33 g/mol
Exact Mass371.11
IUPAC Name2-(4-fluorophenoxy)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]propanamide
SMILESCC(Oc1ccc(F)cc1)C(=O)NCc1ccc(OCC(F)(F)F)cc1
InChIInChI=1S/C18H17F4NO3/c1-12(26-16-8-4-14(19)5-9-16)17(24)23-10-13-2-6-15(7-3-13)25-11-18(20,21)22/h2-9,12H,10-11H2,1H3,(H,23,24)
InChIKeyDZLYTWYDFTZEGC-UHFFFAOYSA-N
XLogP3.85
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.33
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenoxy)-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide
CID 46420429
2-(2-chlorophenoxy)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]propanamide
CID 43058982
methyl 4-[[[(2S)-2-(4-fluorophenoxy)propanoyl]amino]methyl]benzoate
CID 40881969
N-[[4-(ethoxymethyl)phenyl]methyl]-2-(4-fluorophenoxy)propanamide
CID 46447315
2-amino-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]propanamide;hydrochloride
CID 119277641
(2R)-2-(4-fluorophenoxy)-N-(pyridin-4-ylmethyl)propanamide
CID 1083198
N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide
CID 60713140
(2S)-2-amino-4-methyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pentanamide
CID 119701662
(2S)-2-(4-fluorophenoxy)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide
CID 31591923
2-(4-methylphenoxy)-N-[(4-methylphenyl)methyl]propanamide
CID 4221032
N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 133199284
(2R)-N-[(4-fluorophenyl)methyl]-2-(3-methoxyphenoxy)propanamide
CID 92675443

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]propanamide?
The IUPAC name of 2-(4-fluorophenoxy)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]propanamide (CID 43042680) is 2-(4-fluorophenoxy)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]propanamide.
What is the SMILES notation for 2-(4-fluorophenoxy)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]propanamide?
The canonical SMILES for 2-(4-fluorophenoxy)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]propanamide is CC(Oc1ccc(F)cc1)C(=O)NCc1ccc(OCC(F)(F)F)cc1.
What is the InChIKey of 2-(4-fluorophenoxy)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]propanamide?
The InChIKey is DZLYTWYDFTZEGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F4NO3/c1-12(26-16-8-4-14(19)5-9-16)17(24)23-10-13-2-6-15(7-3-13)25-11-18(20,21)22/h2-9,12H,10-11H2,1H3,(H,23,24).
What are the key properties of 2-(4-fluorophenoxy)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]propanamide?
2-(4-fluorophenoxy)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]propanamide has a molecular weight of 371.33 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]propanamide is sourced from PubChem (CID 43042680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).