2-(5-chloro-2-methylanilino)-N-[(2,4-dichlorophenyl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide

C21H15Cl3F3N3O — CID 155924393

IUPAC2-(5-chloro-2-methylanilino)-N-[(2,4-dichlorophenyl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1ccc(Cl)cc1Nc1nc(C(F)(F)F)ccc1C(=O)NCc1ccc(Cl)cc1Cl
InChIInChI=1S/C21H15Cl3F3N3O/c1-11-2-4-14(23)9-17(11)29-19-15(6-7-18(30-19)21(25,26)27)20(31)28-10-12-3-5-13(22)8-16(12)24/h2-9H,10H2,1H3,(H,28,31)(H,29,30)
InChIKeyMRAGZSGUJAKGPX-UHFFFAOYSA-N
MW488.72 g/mol
LogP7.04
Rot. Bonds5

About 2-(5-chloro-2-methylanilino)-N-[(2,4-dichlorophenyl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide

2-(5-chloro-2-methylanilino)-N-[(2,4-dichlorophenyl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 155924393) has the molecular formula C21H15Cl3F3N3O and a molecular weight of 488.72 g/mol. Its IUPAC name is 2-(5-chloro-2-methylanilino)-N-[(2,4-dichlorophenyl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(5-chloro-2-methylanilino)-N-[(2,4-dichlorophenyl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID155924393
Molecular FormulaC21H15Cl3F3N3O
Molecular Weight488.72 g/mol
Exact Mass487.02
IUPAC Name2-(5-chloro-2-methylanilino)-N-[(2,4-dichlorophenyl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1ccc(Cl)cc1Nc1nc(C(F)(F)F)ccc1C(=O)NCc1ccc(Cl)cc1Cl
InChIInChI=1S/C21H15Cl3F3N3O/c1-11-2-4-14(23)9-17(11)29-19-15(6-7-18(30-19)21(25,26)27)20(31)28-10-12-3-5-13(22)8-16(12)24/h2-9H,10H2,1H3,(H,28,31)(H,29,30)
InChIKeyMRAGZSGUJAKGPX-UHFFFAOYSA-N
XLogP7.04
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.72
LogP ≤ 57.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methylanilino)-N-[(2,4-dichlorophenyl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 2-(5-chloro-2-methylanilino)-N-[(2,4-dichlorophenyl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide (CID 155924393) is 2-(5-chloro-2-methylanilino)-N-[(2,4-dichlorophenyl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-(5-chloro-2-methylanilino)-N-[(2,4-dichlorophenyl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-(5-chloro-2-methylanilino)-N-[(2,4-dichlorophenyl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide is Cc1ccc(Cl)cc1Nc1nc(C(F)(F)F)ccc1C(=O)NCc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(5-chloro-2-methylanilino)-N-[(2,4-dichlorophenyl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is MRAGZSGUJAKGPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15Cl3F3N3O/c1-11-2-4-14(23)9-17(11)29-19-15(6-7-18(30-19)21(25,26)27)20(31)28-10-12-3-5-13(22)8-16(12)24/h2-9H,10H2,1H3,(H,28,31)(H,29,30).
What are the key properties of 2-(5-chloro-2-methylanilino)-N-[(2,4-dichlorophenyl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
2-(5-chloro-2-methylanilino)-N-[(2,4-dichlorophenyl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 488.72 g/mol, XLogP of 7.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methylanilino)-N-[(2,4-dichlorophenyl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 155924393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).