1-[(3,4-dichlorophenyl)methyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide

C14H9Cl2F3N2O2 — CID 4558227

IUPAC1-[(3,4-dichlorophenyl)methyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESNC(=O)c1ccc(C(F)(F)F)n(Cc2ccc(Cl)c(Cl)c2)c1=O
InChIInChI=1S/C14H9Cl2F3N2O2/c15-9-3-1-7(5-10(9)16)6-21-11(14(17,18)19)4-2-8(12(20)22)13(21)23/h1-5H,6H2,(H2,20,22)
InChIKeyNCWLHTMZNHWXBB-UHFFFAOYSA-N
MW365.14 g/mol
LogP3.32
Rot. Bonds3

About 1-[(3,4-dichlorophenyl)methyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide

1-[(3,4-dichlorophenyl)methyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 4558227) has the molecular formula C14H9Cl2F3N2O2 and a molecular weight of 365.14 g/mol. Its IUPAC name is 1-[(3,4-dichlorophenyl)methyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name1-[(3,4-dichlorophenyl)methyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID4558227
Molecular FormulaC14H9Cl2F3N2O2
Molecular Weight365.14 g/mol
Exact Mass364.00
IUPAC Name1-[(3,4-dichlorophenyl)methyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESNC(=O)c1ccc(C(F)(F)F)n(Cc2ccc(Cl)c(Cl)c2)c1=O
InChIInChI=1S/C14H9Cl2F3N2O2/c15-9-3-1-7(5-10(9)16)6-21-11(14(17,18)19)4-2-8(12(20)22)13(21)23/h1-5H,6H2,(H2,20,22)
InChIKeyNCWLHTMZNHWXBB-UHFFFAOYSA-N
XLogP3.32
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.14
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dichlorophenyl)methyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 1-[(3,4-dichlorophenyl)methyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide (CID 4558227) is 1-[(3,4-dichlorophenyl)methyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 1-[(3,4-dichlorophenyl)methyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 1-[(3,4-dichlorophenyl)methyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide is NC(=O)c1ccc(C(F)(F)F)n(Cc2ccc(Cl)c(Cl)c2)c1=O.
What is the InChIKey of 1-[(3,4-dichlorophenyl)methyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is NCWLHTMZNHWXBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2F3N2O2/c15-9-3-1-7(5-10(9)16)6-21-11(14(17,18)19)4-2-8(12(20)22)13(21)23/h1-5H,6H2,(H2,20,22).
What are the key properties of 1-[(3,4-dichlorophenyl)methyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide?
1-[(3,4-dichlorophenyl)methyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 365.14 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dichlorophenyl)methyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 4558227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).