N-[[6-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-2-methoxy-3-pyridinyl]methyl]-4-(trifluoromethyl)benzamide

C27H18Cl3F3N2O2 — CID 87481500

IUPACN-[[6-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-2-methoxy-3-pyridinyl]methyl]-4-(trifluoromethyl)benzamide
SMILESCOc1nc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)cc1CNC(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C27H18Cl3F3N2O2/c1-37-26-17(14-34-25(36)16-2-6-18(7-3-16)27(31,32)33)12-22(21-11-10-20(29)13-23(21)30)24(35-26)15-4-8-19(28)9-5-15/h2-13H,14H2,1H3,(H,34,36)
InChIKeyJDBYZGFPXNVXQZ-UHFFFAOYSA-N
MW565.81 g/mol
LogP8.33
Rot. Bonds6

About N-[[6-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-2-methoxy-3-pyridinyl]methyl]-4-(trifluoromethyl)benzamide

N-[[6-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-2-methoxy-3-pyridinyl]methyl]-4-(trifluoromethyl)benzamide (PubChem CID 87481500) has the molecular formula C27H18Cl3F3N2O2 and a molecular weight of 565.81 g/mol. Its IUPAC name is N-[[6-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-2-methoxy-3-pyridinyl]methyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[[6-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-2-methoxy-3-pyridinyl]methyl]-4-(trifluoromethyl)benzamide
PubChem CID87481500
Molecular FormulaC27H18Cl3F3N2O2
Molecular Weight565.81 g/mol
Exact Mass564.04
IUPAC NameN-[[6-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-2-methoxy-3-pyridinyl]methyl]-4-(trifluoromethyl)benzamide
SMILESCOc1nc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)cc1CNC(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C27H18Cl3F3N2O2/c1-37-26-17(14-34-25(36)16-2-6-18(7-3-16)27(31,32)33)12-22(21-11-10-20(29)13-23(21)30)24(35-26)15-4-8-19(28)9-5-15/h2-13H,14H2,1H3,(H,34,36)
InChIKeyJDBYZGFPXNVXQZ-UHFFFAOYSA-N
XLogP8.33
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.81
LogP ≤ 58.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[6-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-2-methoxy-3-pyridinyl]methyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[[6-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-2-methoxy-3-pyridinyl]methyl]-4-(trifluoromethyl)benzamide (CID 87481500) is N-[[6-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-2-methoxy-3-pyridinyl]methyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[[6-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-2-methoxy-3-pyridinyl]methyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[[6-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-2-methoxy-3-pyridinyl]methyl]-4-(trifluoromethyl)benzamide is COc1nc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)cc1CNC(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[[6-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-2-methoxy-3-pyridinyl]methyl]-4-(trifluoromethyl)benzamide?
The InChIKey is JDBYZGFPXNVXQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18Cl3F3N2O2/c1-37-26-17(14-34-25(36)16-2-6-18(7-3-16)27(31,32)33)12-22(21-11-10-20(29)13-23(21)30)24(35-26)15-4-8-19(28)9-5-15/h2-13H,14H2,1H3,(H,34,36).
What are the key properties of N-[[6-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-2-methoxy-3-pyridinyl]methyl]-4-(trifluoromethyl)benzamide?
N-[[6-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-2-methoxy-3-pyridinyl]methyl]-4-(trifluoromethyl)benzamide has a molecular weight of 565.81 g/mol, XLogP of 8.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-2-methoxy-3-pyridinyl]methyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 87481500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).