4-[4-[4-chloro-3-(trifluoromethyl)anilino]phenoxy]-N-methylpyridine-2-carboxamide

C20H15ClF3N3O2 — CID 118738053

IUPAC4-[4-[4-chloro-3-(trifluoromethyl)anilino]phenoxy]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc(Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1
InChIInChI=1S/C20H15ClF3N3O2/c1-25-19(28)18-11-15(8-9-26-18)29-14-5-2-12(3-6-14)27-13-4-7-17(21)16(10-13)20(22,23)24/h2-11,27H,1H3,(H,25,28)
InChIKeyMSDXNLICHRRNEK-UHFFFAOYSA-N
MW421.81 g/mol
LogP5.65
Rot. Bonds5

About 4-[4-[4-chloro-3-(trifluoromethyl)anilino]phenoxy]-N-methylpyridine-2-carboxamide

4-[4-[4-chloro-3-(trifluoromethyl)anilino]phenoxy]-N-methylpyridine-2-carboxamide (PubChem CID 118738053) has the molecular formula C20H15ClF3N3O2 and a molecular weight of 421.81 g/mol. Its IUPAC name is 4-[4-[4-chloro-3-(trifluoromethyl)anilino]phenoxy]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[4-[4-chloro-3-(trifluoromethyl)anilino]phenoxy]-N-methylpyridine-2-carboxamide
PubChem CID118738053
Molecular FormulaC20H15ClF3N3O2
Molecular Weight421.81 g/mol
Exact Mass421.08
IUPAC Name4-[4-[4-chloro-3-(trifluoromethyl)anilino]phenoxy]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc(Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1
InChIInChI=1S/C20H15ClF3N3O2/c1-25-19(28)18-11-15(8-9-26-18)29-14-5-2-12(3-6-14)27-13-4-7-17(21)16(10-13)20(22,23)24/h2-11,27H,1H3,(H,25,28)
InChIKeyMSDXNLICHRRNEK-UHFFFAOYSA-N
XLogP5.65
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.81
LogP ≤ 55.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-chloro-3-(trifluoromethyl)anilino]phenoxy]-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-[4-[4-chloro-3-(trifluoromethyl)anilino]phenoxy]-N-methylpyridine-2-carboxamide (CID 118738053) is 4-[4-[4-chloro-3-(trifluoromethyl)anilino]phenoxy]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[4-[4-chloro-3-(trifluoromethyl)anilino]phenoxy]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[4-[4-chloro-3-(trifluoromethyl)anilino]phenoxy]-N-methylpyridine-2-carboxamide is CNC(=O)c1cc(Oc2ccc(Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1.
What is the InChIKey of 4-[4-[4-chloro-3-(trifluoromethyl)anilino]phenoxy]-N-methylpyridine-2-carboxamide?
The InChIKey is MSDXNLICHRRNEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClF3N3O2/c1-25-19(28)18-11-15(8-9-26-18)29-14-5-2-12(3-6-14)27-13-4-7-17(21)16(10-13)20(22,23)24/h2-11,27H,1H3,(H,25,28).
What are the key properties of 4-[4-[4-chloro-3-(trifluoromethyl)anilino]phenoxy]-N-methylpyridine-2-carboxamide?
4-[4-[4-chloro-3-(trifluoromethyl)anilino]phenoxy]-N-methylpyridine-2-carboxamide has a molecular weight of 421.81 g/mol, XLogP of 5.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-chloro-3-(trifluoromethyl)anilino]phenoxy]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 118738053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).