N-[(2,4-dichlorophenyl)methyl]-6-[2-(trifluoromethoxy)phenyl]pyridine-3-carboxamide

C20H13Cl2F3N2O2 — CID 24743172

IUPACN-[(2,4-dichlorophenyl)methyl]-6-[2-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1Cl)c1ccc(-c2ccccc2OC(F)(F)F)nc1
InChIInChI=1S/C20H13Cl2F3N2O2/c21-14-7-5-12(16(22)9-14)10-27-19(28)13-6-8-17(26-11-13)15-3-1-2-4-18(15)29-20(23,24)25/h1-9,11H,10H2,(H,27,28)
InChIKeyWERXVIIEVZQHBC-UHFFFAOYSA-N
MW441.24 g/mol
LogP5.88
Rot. Bonds5

About N-[(2,4-dichlorophenyl)methyl]-6-[2-(trifluoromethoxy)phenyl]pyridine-3-carboxamide

N-[(2,4-dichlorophenyl)methyl]-6-[2-(trifluoromethoxy)phenyl]pyridine-3-carboxamide (PubChem CID 24743172) has the molecular formula C20H13Cl2F3N2O2 and a molecular weight of 441.24 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-6-[2-(trifluoromethoxy)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-6-[2-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
PubChem CID24743172
Molecular FormulaC20H13Cl2F3N2O2
Molecular Weight441.24 g/mol
Exact Mass440.03
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-6-[2-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1Cl)c1ccc(-c2ccccc2OC(F)(F)F)nc1
InChIInChI=1S/C20H13Cl2F3N2O2/c21-14-7-5-12(16(22)9-14)10-27-19(28)13-6-8-17(26-11-13)15-3-1-2-4-18(15)29-20(23,24)25/h1-9,11H,10H2,(H,27,28)
InChIKeyWERXVIIEVZQHBC-UHFFFAOYSA-N
XLogP5.88
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.24
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-6-[2-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-6-[2-(trifluoromethoxy)phenyl]pyridine-3-carboxamide (CID 24743172) is N-[(2,4-dichlorophenyl)methyl]-6-[2-(trifluoromethoxy)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-6-[2-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-6-[2-(trifluoromethoxy)phenyl]pyridine-3-carboxamide is O=C(NCc1ccc(Cl)cc1Cl)c1ccc(-c2ccccc2OC(F)(F)F)nc1.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-6-[2-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
The InChIKey is WERXVIIEVZQHBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13Cl2F3N2O2/c21-14-7-5-12(16(22)9-14)10-27-19(28)13-6-8-17(26-11-13)15-3-1-2-4-18(15)29-20(23,24)25/h1-9,11H,10H2,(H,27,28).
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-6-[2-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
N-[(2,4-dichlorophenyl)methyl]-6-[2-(trifluoromethoxy)phenyl]pyridine-3-carboxamide has a molecular weight of 441.24 g/mol, XLogP of 5.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methyl]-6-[2-(trifluoromethoxy)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 24743172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).