N-[3-chloro-5-[(5-fluoro-3-pyridinyl)oxy]phenyl]-6-(1,1-difluoroethyl)pyridine-2-carboxamide

C19H13ClF3N3O2 — CID 58337667

IUPACN-[3-chloro-5-[(5-fluoro-3-pyridinyl)oxy]phenyl]-6-(1,1-difluoroethyl)pyridine-2-carboxamide
SMILESCC(F)(F)c1cccc(C(=O)Nc2cc(Cl)cc(Oc3cncc(F)c3)c2)n1
InChIInChI=1S/C19H13ClF3N3O2/c1-19(22,23)17-4-2-3-16(26-17)18(27)25-13-5-11(20)6-14(8-13)28-15-7-12(21)9-24-10-15/h2-10H,1H3,(H,25,27)
InChIKeyKSEPFEVYLILWRR-UHFFFAOYSA-N
MW407.78 g/mol
LogP5.43
Rot. Bonds5

About N-[3-chloro-5-[(5-fluoro-3-pyridinyl)oxy]phenyl]-6-(1,1-difluoroethyl)pyridine-2-carboxamide

N-[3-chloro-5-[(5-fluoro-3-pyridinyl)oxy]phenyl]-6-(1,1-difluoroethyl)pyridine-2-carboxamide (PubChem CID 58337667) has the molecular formula C19H13ClF3N3O2 and a molecular weight of 407.78 g/mol. Its IUPAC name is N-[3-chloro-5-[(5-fluoro-3-pyridinyl)oxy]phenyl]-6-(1,1-difluoroethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-5-[(5-fluoro-3-pyridinyl)oxy]phenyl]-6-(1,1-difluoroethyl)pyridine-2-carboxamide
PubChem CID58337667
Molecular FormulaC19H13ClF3N3O2
Molecular Weight407.78 g/mol
Exact Mass407.06
IUPAC NameN-[3-chloro-5-[(5-fluoro-3-pyridinyl)oxy]phenyl]-6-(1,1-difluoroethyl)pyridine-2-carboxamide
SMILESCC(F)(F)c1cccc(C(=O)Nc2cc(Cl)cc(Oc3cncc(F)c3)c2)n1
InChIInChI=1S/C19H13ClF3N3O2/c1-19(22,23)17-4-2-3-16(26-17)18(27)25-13-5-11(20)6-14(8-13)28-15-7-12(21)9-24-10-15/h2-10H,1H3,(H,25,27)
InChIKeyKSEPFEVYLILWRR-UHFFFAOYSA-N
XLogP5.43
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.78
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-5-[(5-fluoro-3-pyridinyl)oxy]phenyl]-6-(1,1-difluoroethyl)pyridine-2-carboxamide?
The IUPAC name of N-[3-chloro-5-[(5-fluoro-3-pyridinyl)oxy]phenyl]-6-(1,1-difluoroethyl)pyridine-2-carboxamide (CID 58337667) is N-[3-chloro-5-[(5-fluoro-3-pyridinyl)oxy]phenyl]-6-(1,1-difluoroethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[3-chloro-5-[(5-fluoro-3-pyridinyl)oxy]phenyl]-6-(1,1-difluoroethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[3-chloro-5-[(5-fluoro-3-pyridinyl)oxy]phenyl]-6-(1,1-difluoroethyl)pyridine-2-carboxamide is CC(F)(F)c1cccc(C(=O)Nc2cc(Cl)cc(Oc3cncc(F)c3)c2)n1.
What is the InChIKey of N-[3-chloro-5-[(5-fluoro-3-pyridinyl)oxy]phenyl]-6-(1,1-difluoroethyl)pyridine-2-carboxamide?
The InChIKey is KSEPFEVYLILWRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClF3N3O2/c1-19(22,23)17-4-2-3-16(26-17)18(27)25-13-5-11(20)6-14(8-13)28-15-7-12(21)9-24-10-15/h2-10H,1H3,(H,25,27).
What are the key properties of N-[3-chloro-5-[(5-fluoro-3-pyridinyl)oxy]phenyl]-6-(1,1-difluoroethyl)pyridine-2-carboxamide?
N-[3-chloro-5-[(5-fluoro-3-pyridinyl)oxy]phenyl]-6-(1,1-difluoroethyl)pyridine-2-carboxamide has a molecular weight of 407.78 g/mol, XLogP of 5.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-5-[(5-fluoro-3-pyridinyl)oxy]phenyl]-6-(1,1-difluoroethyl)pyridine-2-carboxamide is sourced from PubChem (CID 58337667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).