N-(2,5-dichloro-4-methylphenyl)-2-(trifluoromethyl)pyridine-3-carboxamide

C14H9Cl2F3N2O — CID 154754255

IUPACN-(2,5-dichloro-4-methylphenyl)-2-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1cc(Cl)c(NC(=O)c2cccnc2C(F)(F)F)cc1Cl
InChIInChI=1S/C14H9Cl2F3N2O/c1-7-5-10(16)11(6-9(7)15)21-13(22)8-3-2-4-20-12(8)14(17,18)19/h2-6H,1H3,(H,21,22)
InChIKeyHBZPMKYSLKCJIT-UHFFFAOYSA-N
MW349.14 g/mol
LogP4.97
Rot. Bonds2

About N-(2,5-dichloro-4-methylphenyl)-2-(trifluoromethyl)pyridine-3-carboxamide

N-(2,5-dichloro-4-methylphenyl)-2-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 154754255) has the molecular formula C14H9Cl2F3N2O and a molecular weight of 349.14 g/mol. Its IUPAC name is N-(2,5-dichloro-4-methylphenyl)-2-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,5-dichloro-4-methylphenyl)-2-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID154754255
Molecular FormulaC14H9Cl2F3N2O
Molecular Weight349.14 g/mol
Exact Mass348.00
IUPAC NameN-(2,5-dichloro-4-methylphenyl)-2-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1cc(Cl)c(NC(=O)c2cccnc2C(F)(F)F)cc1Cl
InChIInChI=1S/C14H9Cl2F3N2O/c1-7-5-10(16)11(6-9(7)15)21-13(22)8-3-2-4-20-12(8)14(17,18)19/h2-6H,1H3,(H,21,22)
InChIKeyHBZPMKYSLKCJIT-UHFFFAOYSA-N
XLogP4.97
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.14
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichloro-4-methylphenyl)-2-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-(2,5-dichloro-4-methylphenyl)-2-(trifluoromethyl)pyridine-3-carboxamide (CID 154754255) is N-(2,5-dichloro-4-methylphenyl)-2-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(2,5-dichloro-4-methylphenyl)-2-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-(2,5-dichloro-4-methylphenyl)-2-(trifluoromethyl)pyridine-3-carboxamide is Cc1cc(Cl)c(NC(=O)c2cccnc2C(F)(F)F)cc1Cl.
What is the InChIKey of N-(2,5-dichloro-4-methylphenyl)-2-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is HBZPMKYSLKCJIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2F3N2O/c1-7-5-10(16)11(6-9(7)15)21-13(22)8-3-2-4-20-12(8)14(17,18)19/h2-6H,1H3,(H,21,22).
What are the key properties of N-(2,5-dichloro-4-methylphenyl)-2-(trifluoromethyl)pyridine-3-carboxamide?
N-(2,5-dichloro-4-methylphenyl)-2-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 349.14 g/mol, XLogP of 4.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichloro-4-methylphenyl)-2-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 154754255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).