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

C20H14ClF3N4O3 — CID 70978045

IUPAC4-[2-[N-carbamoyl-4-chloro-3-(trifluoromethyl)anilino]phenoxy]pyridine-2-carboxamide
SMILESNC(=O)c1cc(Oc2ccccc2N(C(N)=O)c2ccc(Cl)c(C(F)(F)F)c2)ccn1
InChIInChI=1S/C20H14ClF3N4O3/c21-14-6-5-11(9-13(14)20(22,23)24)28(19(26)30)16-3-1-2-4-17(16)31-12-7-8-27-15(10-12)18(25)29/h1-10H,(H2,25,29)(H2,26,30)
InChIKeyDANUEJLPYNBXNJ-UHFFFAOYSA-N
MW450.80 g/mol
LogP4.86
Rot. Bonds5

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

4-[2-[N-carbamoyl-4-chloro-3-(trifluoromethyl)anilino]phenoxy]pyridine-2-carboxamide (PubChem CID 70978045) has the molecular formula C20H14ClF3N4O3 and a molecular weight of 450.80 g/mol. Its IUPAC name is 4-[2-[N-carbamoyl-4-chloro-3-(trifluoromethyl)anilino]phenoxy]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[2-[N-carbamoyl-4-chloro-3-(trifluoromethyl)anilino]phenoxy]pyridine-2-carboxamide
PubChem CID70978045
Molecular FormulaC20H14ClF3N4O3
Molecular Weight450.80 g/mol
Exact Mass450.07
IUPAC Name4-[2-[N-carbamoyl-4-chloro-3-(trifluoromethyl)anilino]phenoxy]pyridine-2-carboxamide
SMILESNC(=O)c1cc(Oc2ccccc2N(C(N)=O)c2ccc(Cl)c(C(F)(F)F)c2)ccn1
InChIInChI=1S/C20H14ClF3N4O3/c21-14-6-5-11(9-13(14)20(22,23)24)28(19(26)30)16-3-1-2-4-17(16)31-12-7-8-27-15(10-12)18(25)29/h1-10H,(H2,25,29)(H2,26,30)
InChIKeyDANUEJLPYNBXNJ-UHFFFAOYSA-N
XLogP4.86
TPSA111.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.80
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[N-carbamoyl-4-chloro-3-(trifluoromethyl)anilino]phenoxy]pyridine-2-carboxamide?
The IUPAC name of 4-[2-[N-carbamoyl-4-chloro-3-(trifluoromethyl)anilino]phenoxy]pyridine-2-carboxamide (CID 70978045) is 4-[2-[N-carbamoyl-4-chloro-3-(trifluoromethyl)anilino]phenoxy]pyridine-2-carboxamide.
What is the SMILES notation for 4-[2-[N-carbamoyl-4-chloro-3-(trifluoromethyl)anilino]phenoxy]pyridine-2-carboxamide?
The canonical SMILES for 4-[2-[N-carbamoyl-4-chloro-3-(trifluoromethyl)anilino]phenoxy]pyridine-2-carboxamide is NC(=O)c1cc(Oc2ccccc2N(C(N)=O)c2ccc(Cl)c(C(F)(F)F)c2)ccn1.
What is the InChIKey of 4-[2-[N-carbamoyl-4-chloro-3-(trifluoromethyl)anilino]phenoxy]pyridine-2-carboxamide?
The InChIKey is DANUEJLPYNBXNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClF3N4O3/c21-14-6-5-11(9-13(14)20(22,23)24)28(19(26)30)16-3-1-2-4-17(16)31-12-7-8-27-15(10-12)18(25)29/h1-10H,(H2,25,29)(H2,26,30).
What are the key properties of 4-[2-[N-carbamoyl-4-chloro-3-(trifluoromethyl)anilino]phenoxy]pyridine-2-carboxamide?
4-[2-[N-carbamoyl-4-chloro-3-(trifluoromethyl)anilino]phenoxy]pyridine-2-carboxamide has a molecular weight of 450.80 g/mol, XLogP of 4.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[N-carbamoyl-4-chloro-3-(trifluoromethyl)anilino]phenoxy]pyridine-2-carboxamide is sourced from PubChem (CID 70978045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).