N-[3-chloro-5-[(5-fluoro-3-pyridinyl)oxy]phenyl]-3-cyanobenzamide

C19H11ClFN3O2 — CID 58337724

IUPACN-[3-chloro-5-[(5-fluoro-3-pyridinyl)oxy]phenyl]-3-cyanobenzamide
SMILESN#Cc1cccc(C(=O)Nc2cc(Cl)cc(Oc3cncc(F)c3)c2)c1
InChIInChI=1S/C19H11ClFN3O2/c20-14-5-16(24-19(25)13-3-1-2-12(4-13)9-22)8-17(6-14)26-18-7-15(21)10-23-11-18/h1-8,10-11H,(H,24,25)
InChIKeyKHTCAKWAYZWWJZ-UHFFFAOYSA-N
MW367.77 g/mol
LogP4.79
Rot. Bonds4

About N-[3-chloro-5-[(5-fluoro-3-pyridinyl)oxy]phenyl]-3-cyanobenzamide

N-[3-chloro-5-[(5-fluoro-3-pyridinyl)oxy]phenyl]-3-cyanobenzamide (PubChem CID 58337724) has the molecular formula C19H11ClFN3O2 and a molecular weight of 367.77 g/mol. Its IUPAC name is N-[3-chloro-5-[(5-fluoro-3-pyridinyl)oxy]phenyl]-3-cyanobenzamide.

Molecular Properties

Compound NameN-[3-chloro-5-[(5-fluoro-3-pyridinyl)oxy]phenyl]-3-cyanobenzamide
PubChem CID58337724
Molecular FormulaC19H11ClFN3O2
Molecular Weight367.77 g/mol
Exact Mass367.05
IUPAC NameN-[3-chloro-5-[(5-fluoro-3-pyridinyl)oxy]phenyl]-3-cyanobenzamide
SMILESN#Cc1cccc(C(=O)Nc2cc(Cl)cc(Oc3cncc(F)c3)c2)c1
InChIInChI=1S/C19H11ClFN3O2/c20-14-5-16(24-19(25)13-3-1-2-12(4-13)9-22)8-17(6-14)26-18-7-15(21)10-23-11-18/h1-8,10-11H,(H,24,25)
InChIKeyKHTCAKWAYZWWJZ-UHFFFAOYSA-N
XLogP4.79
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.77
LogP ≤ 54.79
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]-3-cyanobenzamide?
The IUPAC name of N-[3-chloro-5-[(5-fluoro-3-pyridinyl)oxy]phenyl]-3-cyanobenzamide (CID 58337724) is N-[3-chloro-5-[(5-fluoro-3-pyridinyl)oxy]phenyl]-3-cyanobenzamide.
What is the SMILES notation for N-[3-chloro-5-[(5-fluoro-3-pyridinyl)oxy]phenyl]-3-cyanobenzamide?
The canonical SMILES for N-[3-chloro-5-[(5-fluoro-3-pyridinyl)oxy]phenyl]-3-cyanobenzamide is N#Cc1cccc(C(=O)Nc2cc(Cl)cc(Oc3cncc(F)c3)c2)c1.
What is the InChIKey of N-[3-chloro-5-[(5-fluoro-3-pyridinyl)oxy]phenyl]-3-cyanobenzamide?
The InChIKey is KHTCAKWAYZWWJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11ClFN3O2/c20-14-5-16(24-19(25)13-3-1-2-12(4-13)9-22)8-17(6-14)26-18-7-15(21)10-23-11-18/h1-8,10-11H,(H,24,25).
What are the key properties of N-[3-chloro-5-[(5-fluoro-3-pyridinyl)oxy]phenyl]-3-cyanobenzamide?
N-[3-chloro-5-[(5-fluoro-3-pyridinyl)oxy]phenyl]-3-cyanobenzamide has a molecular weight of 367.77 g/mol, XLogP of 4.79, 4 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]-3-cyanobenzamide is sourced from PubChem (CID 58337724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).