2-fluoro-N-[6-[2-fluoro-4-(methylamino)phenoxy]-3-pyridinyl]-4-(trifluoromethyl)benzamide;hydrochloride

C20H15ClF5N3O2 — CID 56952843

IUPAC2-fluoro-N-[6-[2-fluoro-4-(methylamino)phenoxy]-3-pyridinyl]-4-(trifluoromethyl)benzamide;hydrochloride
SMILESCNc1ccc(Oc2ccc(NC(=O)c3ccc(C(F)(F)F)cc3F)cn2)c(F)c1.Cl
InChIInChI=1S/C20H14F5N3O2.ClH/c1-26-12-3-6-17(16(22)9-12)30-18-7-4-13(10-27-18)28-19(29)14-5-2-11(8-15(14)21)20(23,24)25;/h2-10,26H,1H3,(H,28,29);1H
InChIKeyWEAXITLELBXTLI-UHFFFAOYSA-N
MW459.80 g/mol
LogP5.89
Rot. Bonds5

About 2-fluoro-N-[6-[2-fluoro-4-(methylamino)phenoxy]-3-pyridinyl]-4-(trifluoromethyl)benzamide;hydrochloride

2-fluoro-N-[6-[2-fluoro-4-(methylamino)phenoxy]-3-pyridinyl]-4-(trifluoromethyl)benzamide;hydrochloride (PubChem CID 56952843) has the molecular formula C20H15ClF5N3O2 and a molecular weight of 459.80 g/mol. Its IUPAC name is 2-fluoro-N-[6-[2-fluoro-4-(methylamino)phenoxy]-3-pyridinyl]-4-(trifluoromethyl)benzamide;hydrochloride.

Molecular Properties

Compound Name2-fluoro-N-[6-[2-fluoro-4-(methylamino)phenoxy]-3-pyridinyl]-4-(trifluoromethyl)benzamide;hydrochloride
PubChem CID56952843
Molecular FormulaC20H15ClF5N3O2
Molecular Weight459.80 g/mol
Exact Mass459.08
IUPAC Name2-fluoro-N-[6-[2-fluoro-4-(methylamino)phenoxy]-3-pyridinyl]-4-(trifluoromethyl)benzamide;hydrochloride
SMILESCNc1ccc(Oc2ccc(NC(=O)c3ccc(C(F)(F)F)cc3F)cn2)c(F)c1.Cl
InChIInChI=1S/C20H14F5N3O2.ClH/c1-26-12-3-6-17(16(22)9-12)30-18-7-4-13(10-27-18)28-19(29)14-5-2-11(8-15(14)21)20(23,24)25;/h2-10,26H,1H3,(H,28,29);1H
InChIKeyWEAXITLELBXTLI-UHFFFAOYSA-N
XLogP5.89
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.80
LogP ≤ 55.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-chloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-2,4-difluorobenzamide
CID 10113425
N-[3-fluoro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-4-(methylamino)butanamide
CID 119887683
N-[[6-[2-fluoro-5-(trifluoromethyl)phenoxy]-3-pyridinyl]carbamoyl]-2,6-dimethoxybenzamide
CID 57224277
(2S)-2-amino-N-[3-fluoro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-4-methylpentanamide
CID 119887717
2,6-dichloro-N-[[6-[2-fluoro-5-(trifluoromethyl)phenoxy]-3-pyridinyl]carbamoyl]benzamide
CID 57322394
3,5-dichloro-N-[3-chloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-2-hydroxybenzamide
CID 10116535
N-[3-fluoro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]morpholine-3-carboxamide
CID 119887677
1-[6-(2,4-difluorophenoxy)-3-pyridinyl]-3-(4-methylsulfanylphenyl)urea
CID 42878489
methyl 5-[[2-(2,4-dimethoxyphenoxy)-5-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxylate
CID 90315046
N-[6-[4-(1-hydroxyethyl)phenoxy]-3-pyridinyl]-4-(trifluoromethyl)benzamide
CID 18673964
N-[4-[(5-chloro-2-pyridinyl)oxy]-3-fluorophenyl]pyridine-2-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 73058453
2-bromo-N-(6-fluoro-3-pyridinyl)-5-(trifluoromethyl)benzamide
CID 103819052

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[6-[2-fluoro-4-(methylamino)phenoxy]-3-pyridinyl]-4-(trifluoromethyl)benzamide;hydrochloride?
The IUPAC name of 2-fluoro-N-[6-[2-fluoro-4-(methylamino)phenoxy]-3-pyridinyl]-4-(trifluoromethyl)benzamide;hydrochloride (CID 56952843) is 2-fluoro-N-[6-[2-fluoro-4-(methylamino)phenoxy]-3-pyridinyl]-4-(trifluoromethyl)benzamide;hydrochloride.
What is the SMILES notation for 2-fluoro-N-[6-[2-fluoro-4-(methylamino)phenoxy]-3-pyridinyl]-4-(trifluoromethyl)benzamide;hydrochloride?
The canonical SMILES for 2-fluoro-N-[6-[2-fluoro-4-(methylamino)phenoxy]-3-pyridinyl]-4-(trifluoromethyl)benzamide;hydrochloride is CNc1ccc(Oc2ccc(NC(=O)c3ccc(C(F)(F)F)cc3F)cn2)c(F)c1.Cl.
What is the InChIKey of 2-fluoro-N-[6-[2-fluoro-4-(methylamino)phenoxy]-3-pyridinyl]-4-(trifluoromethyl)benzamide;hydrochloride?
The InChIKey is WEAXITLELBXTLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F5N3O2.ClH/c1-26-12-3-6-17(16(22)9-12)30-18-7-4-13(10-27-18)28-19(29)14-5-2-11(8-15(14)21)20(23,24)25;/h2-10,26H,1H3,(H,28,29);1H.
What are the key properties of 2-fluoro-N-[6-[2-fluoro-4-(methylamino)phenoxy]-3-pyridinyl]-4-(trifluoromethyl)benzamide;hydrochloride?
2-fluoro-N-[6-[2-fluoro-4-(methylamino)phenoxy]-3-pyridinyl]-4-(trifluoromethyl)benzamide;hydrochloride has a molecular weight of 459.80 g/mol, XLogP of 5.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[6-[2-fluoro-4-(methylamino)phenoxy]-3-pyridinyl]-4-(trifluoromethyl)benzamide;hydrochloride is sourced from PubChem (CID 56952843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).