N-[4-chloro-2-(trifluoromethyl)phenyl]-1-[(3-methylphenyl)methoxy]-2-oxopyridine-3-carboxamide

C21H16ClF3N2O3 — CID 6622872

IUPACN-[4-chloro-2-(trifluoromethyl)phenyl]-1-[(3-methylphenyl)methoxy]-2-oxopyridine-3-carboxamide
SMILESCc1cccc(COn2cccc(C(=O)Nc3ccc(Cl)cc3C(F)(F)F)c2=O)c1
InChIInChI=1S/C21H16ClF3N2O3/c1-13-4-2-5-14(10-13)12-30-27-9-3-6-16(20(27)29)19(28)26-18-8-7-15(22)11-17(18)21(23,24)25/h2-11H,12H2,1H3,(H,26,28)
InChIKeyUVTJUTCPPZLAHM-UHFFFAOYSA-N
MW436.82 g/mol
LogP4.71
Rot. Bonds5

About N-[4-chloro-2-(trifluoromethyl)phenyl]-1-[(3-methylphenyl)methoxy]-2-oxopyridine-3-carboxamide

N-[4-chloro-2-(trifluoromethyl)phenyl]-1-[(3-methylphenyl)methoxy]-2-oxopyridine-3-carboxamide (PubChem CID 6622872) has the molecular formula C21H16ClF3N2O3 and a molecular weight of 436.82 g/mol. Its IUPAC name is N-[4-chloro-2-(trifluoromethyl)phenyl]-1-[(3-methylphenyl)methoxy]-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-2-(trifluoromethyl)phenyl]-1-[(3-methylphenyl)methoxy]-2-oxopyridine-3-carboxamide
PubChem CID6622872
Molecular FormulaC21H16ClF3N2O3
Molecular Weight436.82 g/mol
Exact Mass436.08
IUPAC NameN-[4-chloro-2-(trifluoromethyl)phenyl]-1-[(3-methylphenyl)methoxy]-2-oxopyridine-3-carboxamide
SMILESCc1cccc(COn2cccc(C(=O)Nc3ccc(Cl)cc3C(F)(F)F)c2=O)c1
InChIInChI=1S/C21H16ClF3N2O3/c1-13-4-2-5-14(10-13)12-30-27-9-3-6-16(20(27)29)19(28)26-18-8-7-15(22)11-17(18)21(23,24)25/h2-11H,12H2,1H3,(H,26,28)
InChIKeyUVTJUTCPPZLAHM-UHFFFAOYSA-N
XLogP4.71
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.82
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-1-[(3-methylphenyl)methoxy]-2-oxopyridine-3-carboxamide?
The IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-1-[(3-methylphenyl)methoxy]-2-oxopyridine-3-carboxamide (CID 6622872) is N-[4-chloro-2-(trifluoromethyl)phenyl]-1-[(3-methylphenyl)methoxy]-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[4-chloro-2-(trifluoromethyl)phenyl]-1-[(3-methylphenyl)methoxy]-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-[4-chloro-2-(trifluoromethyl)phenyl]-1-[(3-methylphenyl)methoxy]-2-oxopyridine-3-carboxamide is Cc1cccc(COn2cccc(C(=O)Nc3ccc(Cl)cc3C(F)(F)F)c2=O)c1.
What is the InChIKey of N-[4-chloro-2-(trifluoromethyl)phenyl]-1-[(3-methylphenyl)methoxy]-2-oxopyridine-3-carboxamide?
The InChIKey is UVTJUTCPPZLAHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClF3N2O3/c1-13-4-2-5-14(10-13)12-30-27-9-3-6-16(20(27)29)19(28)26-18-8-7-15(22)11-17(18)21(23,24)25/h2-11H,12H2,1H3,(H,26,28).
What are the key properties of N-[4-chloro-2-(trifluoromethyl)phenyl]-1-[(3-methylphenyl)methoxy]-2-oxopyridine-3-carboxamide?
N-[4-chloro-2-(trifluoromethyl)phenyl]-1-[(3-methylphenyl)methoxy]-2-oxopyridine-3-carboxamide has a molecular weight of 436.82 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-(trifluoromethyl)phenyl]-1-[(3-methylphenyl)methoxy]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 6622872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).