N-[[4-chloro-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]methyl]pyridine-3-carboxamide

C20H12Cl2FN3O2 — CID 59451496

IUPACN-[[4-chloro-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]methyl]pyridine-3-carboxamide
SMILESN#Cc1cc(Cl)cc(Oc2c(Cl)ccc(CNC(=O)c3cccnc3)c2F)c1
InChIInChI=1S/C20H12Cl2FN3O2/c21-15-6-12(9-24)7-16(8-15)28-19-17(22)4-3-13(18(19)23)11-26-20(27)14-2-1-5-25-10-14/h1-8,10H,11H2,(H,26,27)
InChIKeyIHZUPQUBHDMKFK-UHFFFAOYSA-N
MW416.24 g/mol
LogP5.12
Rot. Bonds5

About N-[[4-chloro-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]methyl]pyridine-3-carboxamide

N-[[4-chloro-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]methyl]pyridine-3-carboxamide (PubChem CID 59451496) has the molecular formula C20H12Cl2FN3O2 and a molecular weight of 416.24 g/mol. Its IUPAC name is N-[[4-chloro-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[4-chloro-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]methyl]pyridine-3-carboxamide
PubChem CID59451496
Molecular FormulaC20H12Cl2FN3O2
Molecular Weight416.24 g/mol
Exact Mass415.03
IUPAC NameN-[[4-chloro-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]methyl]pyridine-3-carboxamide
SMILESN#Cc1cc(Cl)cc(Oc2c(Cl)ccc(CNC(=O)c3cccnc3)c2F)c1
InChIInChI=1S/C20H12Cl2FN3O2/c21-15-6-12(9-24)7-16(8-15)28-19-17(22)4-3-13(18(19)23)11-26-20(27)14-2-1-5-25-10-14/h1-8,10H,11H2,(H,26,27)
InChIKeyIHZUPQUBHDMKFK-UHFFFAOYSA-N
XLogP5.12
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.24
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-chloro-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]methyl]pyridine-3-carboxamide?
The IUPAC name of N-[[4-chloro-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]methyl]pyridine-3-carboxamide (CID 59451496) is N-[[4-chloro-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[[4-chloro-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for N-[[4-chloro-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]methyl]pyridine-3-carboxamide is N#Cc1cc(Cl)cc(Oc2c(Cl)ccc(CNC(=O)c3cccnc3)c2F)c1.
What is the InChIKey of N-[[4-chloro-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]methyl]pyridine-3-carboxamide?
The InChIKey is IHZUPQUBHDMKFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12Cl2FN3O2/c21-15-6-12(9-24)7-16(8-15)28-19-17(22)4-3-13(18(19)23)11-26-20(27)14-2-1-5-25-10-14/h1-8,10H,11H2,(H,26,27).
What are the key properties of N-[[4-chloro-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]methyl]pyridine-3-carboxamide?
N-[[4-chloro-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]methyl]pyridine-3-carboxamide has a molecular weight of 416.24 g/mol, XLogP of 5.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-chloro-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 59451496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).