N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-[3-(trifluoromethyl)anilino]acetamide

C21H17F4N3O2 — CID 56545552

IUPACN-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-[3-(trifluoromethyl)anilino]acetamide
SMILESO=C(CNc1cccc(C(F)(F)F)c1)NCc1ccc(Oc2cccc(F)c2)nc1
InChIInChI=1S/C21H17F4N3O2/c22-16-4-2-6-18(10-16)30-20-8-7-14(12-28-20)11-27-19(29)13-26-17-5-1-3-15(9-17)21(23,24)25/h1-10,12,26H,11,13H2,(H,27,29)
InChIKeyNYRNDSKLJKLLPY-UHFFFAOYSA-N
MW419.38 g/mol
LogP4.76
Rot. Bonds7

About N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-[3-(trifluoromethyl)anilino]acetamide

N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-[3-(trifluoromethyl)anilino]acetamide (PubChem CID 56545552) has the molecular formula C21H17F4N3O2 and a molecular weight of 419.38 g/mol. Its IUPAC name is N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-[3-(trifluoromethyl)anilino]acetamide.

Molecular Properties

Compound NameN-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-[3-(trifluoromethyl)anilino]acetamide
PubChem CID56545552
Molecular FormulaC21H17F4N3O2
Molecular Weight419.38 g/mol
Exact Mass419.13
IUPAC NameN-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-[3-(trifluoromethyl)anilino]acetamide
SMILESO=C(CNc1cccc(C(F)(F)F)c1)NCc1ccc(Oc2cccc(F)c2)nc1
InChIInChI=1S/C21H17F4N3O2/c22-16-4-2-6-18(10-16)30-20-8-7-14(12-28-20)11-27-19(29)13-26-17-5-1-3-15(9-17)21(23,24)25/h1-10,12,26H,11,13H2,(H,27,29)
InChIKeyNYRNDSKLJKLLPY-UHFFFAOYSA-N
XLogP4.76
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.38
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]butanamide
CID 119870371
N-[(3-ethoxyphenyl)methyl]-2-[3-(trifluoromethyl)anilino]acetamide
CID 56540336
N-[2-[[6-(3-fluorophenoxy)-3-pyridinyl]methylamino]-2-oxoethyl]furan-3-carboxamide
CID 51130463
3-amino-N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]butanamide;dihydrochloride
CID 119870364
N-[[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]ethanamine
CID 62291138
1,1-diethyl-3-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]urea
CID 60610934
1-[2-[[6-(3-fluorophenoxy)-3-pyridinyl]methylamino]-2-oxoethyl]cyclobutane-1-carboxylic acid
CID 120549762
N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]pyrrolidine-1-carboxamide
CID 60610905
(2S)-2-amino-N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-4-methylpentanamide
CID 119870375
N-[(3-methoxy-4-propoxyphenyl)methyl]-2-[3-(trifluoromethyl)anilino]acetamide
CID 56553002
1-benzyl-3-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-1-methylurea
CID 60610844
tert-butyl N-[2-[[N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-N'-methylcarbamimidoyl]amino]ethyl]carbamate;hydroiodide
CID 111883558

Frequently Asked Questions

What is the IUPAC name of N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-[3-(trifluoromethyl)anilino]acetamide?
The IUPAC name of N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-[3-(trifluoromethyl)anilino]acetamide (CID 56545552) is N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-[3-(trifluoromethyl)anilino]acetamide.
What is the SMILES notation for N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-[3-(trifluoromethyl)anilino]acetamide?
The canonical SMILES for N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-[3-(trifluoromethyl)anilino]acetamide is O=C(CNc1cccc(C(F)(F)F)c1)NCc1ccc(Oc2cccc(F)c2)nc1.
What is the InChIKey of N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-[3-(trifluoromethyl)anilino]acetamide?
The InChIKey is NYRNDSKLJKLLPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F4N3O2/c22-16-4-2-6-18(10-16)30-20-8-7-14(12-28-20)11-27-19(29)13-26-17-5-1-3-15(9-17)21(23,24)25/h1-10,12,26H,11,13H2,(H,27,29).
What are the key properties of N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-[3-(trifluoromethyl)anilino]acetamide?
N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-[3-(trifluoromethyl)anilino]acetamide has a molecular weight of 419.38 g/mol, XLogP of 4.76, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-[3-(trifluoromethyl)anilino]acetamide is sourced from PubChem (CID 56545552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).