N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-5-hydroxy-2-(trifluoromethyl)benzamide

C20H14F4N2O3 — CID 91651889

IUPACN-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-5-hydroxy-2-(trifluoromethyl)benzamide
SMILESO=C(NCc1ccc(Oc2ccc(F)cc2)nc1)c1cc(O)ccc1C(F)(F)F
InChIInChI=1S/C20H14F4N2O3/c21-13-2-5-15(6-3-13)29-18-8-1-12(10-25-18)11-26-19(28)16-9-14(27)4-7-17(16)20(22,23)24/h1-10,27H,11H2,(H,26,28)
InChIKeyNYGMFHBZGBRPDV-UHFFFAOYSA-N
MW406.34 g/mol
LogP4.67
Rot. Bonds5

About N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-5-hydroxy-2-(trifluoromethyl)benzamide

N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-5-hydroxy-2-(trifluoromethyl)benzamide (PubChem CID 91651889) has the molecular formula C20H14F4N2O3 and a molecular weight of 406.34 g/mol. Its IUPAC name is N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-5-hydroxy-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-5-hydroxy-2-(trifluoromethyl)benzamide
PubChem CID91651889
Molecular FormulaC20H14F4N2O3
Molecular Weight406.34 g/mol
Exact Mass406.09
IUPAC NameN-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-5-hydroxy-2-(trifluoromethyl)benzamide
SMILESO=C(NCc1ccc(Oc2ccc(F)cc2)nc1)c1cc(O)ccc1C(F)(F)F
InChIInChI=1S/C20H14F4N2O3/c21-13-2-5-15(6-3-13)29-18-8-1-12(10-25-18)11-26-19(28)16-9-14(27)4-7-17(16)20(22,23)24/h1-10,27H,11H2,(H,26,28)
InChIKeyNYGMFHBZGBRPDV-UHFFFAOYSA-N
XLogP4.67
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.34
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119847805
4-chloro-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide
CID 87020258
2-ethoxy-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]pyridine-3-carboxamide
CID 55800925
2-(difluoromethylsulfanyl)-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]pyridine-3-carboxamide
CID 55858888
(2S)-2-amino-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]butanamide
CID 119847800
N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-4-methoxy-3-nitrobenzamide
CID 55800772
N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 55800742
1-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-3-[(4-fluorophenyl)methyl]-2-methylguanidine;hydroiodide
CID 111232698
2,4-difluoro-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
CID 47136619
2,5-difluoro-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
CID 47136692
1-ethyl-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-2-oxo-3H-benzimidazole-5-carboxamide
CID 174271887
1-[2-(3-chlorophenyl)ethyl]-3-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]urea
CID 52642916

Frequently Asked Questions

What is the IUPAC name of N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-5-hydroxy-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-5-hydroxy-2-(trifluoromethyl)benzamide (CID 91651889) is N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-5-hydroxy-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-5-hydroxy-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-5-hydroxy-2-(trifluoromethyl)benzamide is O=C(NCc1ccc(Oc2ccc(F)cc2)nc1)c1cc(O)ccc1C(F)(F)F.
What is the InChIKey of N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-5-hydroxy-2-(trifluoromethyl)benzamide?
The InChIKey is NYGMFHBZGBRPDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F4N2O3/c21-13-2-5-15(6-3-13)29-18-8-1-12(10-25-18)11-26-19(28)16-9-14(27)4-7-17(16)20(22,23)24/h1-10,27H,11H2,(H,26,28).
What are the key properties of N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-5-hydroxy-2-(trifluoromethyl)benzamide?
N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-5-hydroxy-2-(trifluoromethyl)benzamide has a molecular weight of 406.34 g/mol, XLogP of 4.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-5-hydroxy-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 91651889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).