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

C27H19Cl3F2N2O2 — CID 10311846

IUPAC5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methoxy]-N-ethylpyridine-3-carboxamide
SMILESCCNC(=O)c1cc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)nc1OCc1ccc(F)c(F)c1
InChIInChI=1S/C27H19Cl3F2N2O2/c1-2-33-26(35)21-13-20(16-4-6-17(28)7-5-16)25(19-9-8-18(29)12-22(19)30)34-27(21)36-14-15-3-10-23(31)24(32)11-15/h3-13H,2,14H2,1H3,(H,33,35)
InChIKeyOGDLQAXDJMXJMB-UHFFFAOYSA-N
MW547.82 g/mol
LogP7.98
Rot. Bonds7

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

5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methoxy]-N-ethylpyridine-3-carboxamide (PubChem CID 10311846) has the molecular formula C27H19Cl3F2N2O2 and a molecular weight of 547.82 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methoxy]-N-ethylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methoxy]-N-ethylpyridine-3-carboxamide
PubChem CID10311846
Molecular FormulaC27H19Cl3F2N2O2
Molecular Weight547.82 g/mol
Exact Mass546.05
IUPAC Name5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methoxy]-N-ethylpyridine-3-carboxamide
SMILESCCNC(=O)c1cc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)nc1OCc1ccc(F)c(F)c1
InChIInChI=1S/C27H19Cl3F2N2O2/c1-2-33-26(35)21-13-20(16-4-6-17(28)7-5-16)25(19-9-8-18(29)12-22(19)30)34-27(21)36-14-15-3-10-23(31)24(32)11-15/h3-13H,2,14H2,1H3,(H,33,35)
InChIKeyOGDLQAXDJMXJMB-UHFFFAOYSA-N
XLogP7.98
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.82
LogP ≤ 57.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methoxy]-N-ethylpyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methoxy]-N-ethylpyridine-3-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methoxy]-N-ethylpyridine-3-carboxamide (CID 10311846) is 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methoxy]-N-ethylpyridine-3-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methoxy]-N-ethylpyridine-3-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methoxy]-N-ethylpyridine-3-carboxamide is CCNC(=O)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-ethylpyridine-3-carboxamide?
The InChIKey is OGDLQAXDJMXJMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19Cl3F2N2O2/c1-2-33-26(35)21-13-20(16-4-6-17(28)7-5-16)25(19-9-8-18(29)12-22(19)30)34-27(21)36-14-15-3-10-23(31)24(32)11-15/h3-13H,2,14H2,1H3,(H,33,35).
What are the key properties of 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methoxy]-N-ethylpyridine-3-carboxamide?
5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methoxy]-N-ethylpyridine-3-carboxamide has a molecular weight of 547.82 g/mol, XLogP of 7.98, 7 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-ethylpyridine-3-carboxamide is sourced from PubChem (CID 10311846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).