5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methoxy]-N-(2-fluoroethyl)pyridine-3-carboxamide

C27H18Cl3F3N2O2 — CID 10218471

IUPAC5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methoxy]-N-(2-fluoroethyl)pyridine-3-carboxamide
SMILESO=C(NCCF)c1cc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)nc1OCc1ccc(F)c(F)c1
InChIInChI=1S/C27H18Cl3F3N2O2/c28-17-4-2-16(3-5-17)20-13-21(26(36)34-10-9-31)27(37-14-15-1-8-23(32)24(33)11-15)35-25(20)19-7-6-18(29)12-22(19)30/h1-8,11-13H,9-10,14H2,(H,34,36)
InChIKeyNXWGDMWFMQMYHJ-UHFFFAOYSA-N
MW565.81 g/mol
LogP7.93
Rot. Bonds8

About 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methoxy]-N-(2-fluoroethyl)pyridine-3-carboxamide

5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methoxy]-N-(2-fluoroethyl)pyridine-3-carboxamide (PubChem CID 10218471) has the molecular formula C27H18Cl3F3N2O2 and a molecular weight of 565.81 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methoxy]-N-(2-fluoroethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methoxy]-N-(2-fluoroethyl)pyridine-3-carboxamide
PubChem CID10218471
Molecular FormulaC27H18Cl3F3N2O2
Molecular Weight565.81 g/mol
Exact Mass564.04
IUPAC Name5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methoxy]-N-(2-fluoroethyl)pyridine-3-carboxamide
SMILESO=C(NCCF)c1cc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)nc1OCc1ccc(F)c(F)c1
InChIInChI=1S/C27H18Cl3F3N2O2/c28-17-4-2-16(3-5-17)20-13-21(26(36)34-10-9-31)27(37-14-15-1-8-23(32)24(33)11-15)35-25(20)19-7-6-18(29)12-22(19)30/h1-8,11-13H,9-10,14H2,(H,34,36)
InChIKeyNXWGDMWFMQMYHJ-UHFFFAOYSA-N
XLogP7.93
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.81
LogP ≤ 57.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methoxy]-N-(2-fluoroethyl)pyridine-3-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methoxy]-N-(2-fluoroethyl)pyridine-3-carboxamide (CID 10218471) is 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methoxy]-N-(2-fluoroethyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methoxy]-N-(2-fluoroethyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methoxy]-N-(2-fluoroethyl)pyridine-3-carboxamide is O=C(NCCF)c1cc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)nc1OCc1ccc(F)c(F)c1.
What is the InChIKey of 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methoxy]-N-(2-fluoroethyl)pyridine-3-carboxamide?
The InChIKey is NXWGDMWFMQMYHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18Cl3F3N2O2/c28-17-4-2-16(3-5-17)20-13-21(26(36)34-10-9-31)27(37-14-15-1-8-23(32)24(33)11-15)35-25(20)19-7-6-18(29)12-22(19)30/h1-8,11-13H,9-10,14H2,(H,34,36).
What are the key properties of 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methoxy]-N-(2-fluoroethyl)pyridine-3-carboxamide?
5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methoxy]-N-(2-fluoroethyl)pyridine-3-carboxamide has a molecular weight of 565.81 g/mol, XLogP of 7.93, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methoxy]-N-(2-fluoroethyl)pyridine-3-carboxamide is sourced from PubChem (CID 10218471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).