6-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide

C27H19Cl2F3N2O2 — CID 86303502

IUPAC6-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
SMILESO=C(NCc1ccc(C(F)(F)F)cc1)c1ccc(OC(c2ccc(Cl)cc2)c2ccccc2Cl)nc1
InChIInChI=1S/C27H19Cl2F3N2O2/c28-21-12-7-18(8-13-21)25(22-3-1-2-4-23(22)29)36-24-14-9-19(16-33-24)26(35)34-15-17-5-10-20(11-6-17)27(30,31)32/h1-14,16,25H,15H2,(H,34,35)
InChIKeyOZLOZEDVGFLCIF-UHFFFAOYSA-N
MW531.36 g/mol
LogP7.51
Rot. Bonds7

About 6-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide

6-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide (PubChem CID 86303502) has the molecular formula C27H19Cl2F3N2O2 and a molecular weight of 531.36 g/mol. Its IUPAC name is 6-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
PubChem CID86303502
Molecular FormulaC27H19Cl2F3N2O2
Molecular Weight531.36 g/mol
Exact Mass530.08
IUPAC Name6-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
SMILESO=C(NCc1ccc(C(F)(F)F)cc1)c1ccc(OC(c2ccc(Cl)cc2)c2ccccc2Cl)nc1
InChIInChI=1S/C27H19Cl2F3N2O2/c28-21-12-7-18(8-13-21)25(22-3-1-2-4-23(22)29)36-24-14-9-19(16-33-24)26(35)34-15-17-5-10-20(11-6-17)27(30,31)32/h1-14,16,25H,15H2,(H,34,35)
InChIKeyOZLOZEDVGFLCIF-UHFFFAOYSA-N
XLogP7.51
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.36
LogP ≤ 57.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-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

Related Compounds

N-[3,3-Bis-(4-fluorophenyl)-propyl]-6-(2,2,2-trifluoro-ethoxy)-nicotinamide
CID 44475365
N-benzyl-6-(3,3,3-trifluoropropoxy)nicotinamide
CID 45487805
N-[4-(2-Chloro-benzyloxy)-phenyl]-nicotinamide
CID 803928
N-[2-(4-chlorophenyl)ethyl]-2-ethoxypyridine-3-carboxamide
CID 2481263
3,5-dichloro-N-(3-(4-((pyridin-2-yloxy)(4-(trifluoromethyl)phenyl)methyl)piperidin-1-yl)butyl)isonicotinamide
CID 11180743
6-butoxy-5-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]pyridine-3-carboxamide
CID 11842620
5-(4-chloro-phenyl)-N-((1R,2R)-2-hydroxy-cyclohexyl)-6-(pyridin-4-ylmethoxy)-nicotinamide
CID 11950590
6-(Cyclopentyloxy)-5-[2-chloro-5-(trifluoromethyl)phenyl]-N-[(1beta)-2alpha-hydroxycyclohexyl]pyridine-3-carboxamide
CID 11950958
5-[2-chloro-5-(trifluoromethyl)phenyl]-6-(cyclopropylmethoxy)-N-[(1R,2R)-2-hydroxycyclohexyl]pyridine-3-carboxamide
CID 11951128
6-Cyclopropylmethoxy-5-(2,4-dichloro-phenyl)-N-((1R,2R)-2-hydroxy-cyclohexyl)-nicotinamide
CID 11951300
6-benzyloxy-5-(4-chloro-phenyl)-N-((1R,2R)-2-hydroxy-cyclohexyl)-nicotinamide
CID 11951661
5-(4-Chlorophenyl)-6-(2,2,2-trifluoroethoxy)-N-[(1beta)-2alpha-hydroxycyclohexyl]pyridine-3-carboxamide
CID 11952383

Frequently Asked Questions

What is the IUPAC name of 6-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide?
The IUPAC name of 6-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide (CID 86303502) is 6-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 6-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide is O=C(NCc1ccc(C(F)(F)F)cc1)c1ccc(OC(c2ccc(Cl)cc2)c2ccccc2Cl)nc1.
What is the InChIKey of 6-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide?
The InChIKey is OZLOZEDVGFLCIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19Cl2F3N2O2/c28-21-12-7-18(8-13-21)25(22-3-1-2-4-23(22)29)36-24-14-9-19(16-33-24)26(35)34-15-17-5-10-20(11-6-17)27(30,31)32/h1-14,16,25H,15H2,(H,34,35).
What are the key properties of 6-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide?
6-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide has a molecular weight of 531.36 g/mol, XLogP of 7.51, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 86303502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).