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

C17H15F4NO3 — CID 46420429

IUPAC2-(4-fluorophenoxy)-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide
SMILESCC(Oc1ccc(F)cc1)C(=O)NCc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C17H15F4NO3/c1-11(24-14-8-4-13(18)5-9-14)16(23)22-10-12-2-6-15(7-3-12)25-17(19,20)21/h2-9,11H,10H2,1H3,(H,22,23)
InChIKeyOFAQYNOGIAWBBQ-UHFFFAOYSA-N
MW357.30 g/mol
LogP3.81
Rot. Bonds6

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

2-(4-fluorophenoxy)-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide (PubChem CID 46420429) has the molecular formula C17H15F4NO3 and a molecular weight of 357.30 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide
PubChem CID46420429
Molecular FormulaC17H15F4NO3
Molecular Weight357.30 g/mol
Exact Mass357.10
IUPAC Name2-(4-fluorophenoxy)-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide
SMILESCC(Oc1ccc(F)cc1)C(=O)NCc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C17H15F4NO3/c1-11(24-14-8-4-13(18)5-9-14)16(23)22-10-12-2-6-15(7-3-12)25-17(19,20)21/h2-9,11H,10H2,1H3,(H,22,23)
InChIKeyOFAQYNOGIAWBBQ-UHFFFAOYSA-N
XLogP3.81
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.30
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenoxy)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]propanamide
CID 43042680
methyl 4-[[[(2S)-2-(4-fluorophenoxy)propanoyl]amino]methyl]benzoate
CID 40881969
N-[[4-(ethoxymethyl)phenyl]methyl]-2-(4-fluorophenoxy)propanamide
CID 46447315
(2R)-2-(4-fluorophenoxy)-N-(pyridin-4-ylmethyl)propanamide
CID 1083198
(2S)-2-(4-fluorophenoxy)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide
CID 31591923
2-(4-methylphenoxy)-N-[(4-methylphenyl)methyl]propanamide
CID 4221032
2-bromo-3-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]butanamide
CID 43168090
(2R)-N-[(4-fluorophenyl)methyl]-2-(3-methoxyphenoxy)propanamide
CID 92675443
[(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 4-(trifluoromethoxy)benzoate
CID 7373431
3-(ethylamino)-2-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide
CID 62838028
methyl 5-[[[(2S)-2-(4-fluorophenoxy)propanoyl]amino]methyl]-2-methoxybenzoate
CID 51537459
2-(4-fluorophenoxy)-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]propanamide
CID 56919529

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide?
The IUPAC name of 2-(4-fluorophenoxy)-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide (CID 46420429) is 2-(4-fluorophenoxy)-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide.
What is the SMILES notation for 2-(4-fluorophenoxy)-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide?
The canonical SMILES for 2-(4-fluorophenoxy)-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide is CC(Oc1ccc(F)cc1)C(=O)NCc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-(4-fluorophenoxy)-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide?
The InChIKey is OFAQYNOGIAWBBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F4NO3/c1-11(24-14-8-4-13(18)5-9-14)16(23)22-10-12-2-6-15(7-3-12)25-17(19,20)21/h2-9,11H,10H2,1H3,(H,22,23).
What are the key properties of 2-(4-fluorophenoxy)-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide?
2-(4-fluorophenoxy)-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide has a molecular weight of 357.30 g/mol, XLogP of 3.81, 6 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-(trifluoromethoxy)phenyl]methyl]propanamide is sourced from PubChem (CID 46420429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).