3-[3-chloro-4-[(3,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-4-fluoro-N-methylbenzamide

C21H16ClF3N2O3 — CID 21035311

IUPAC3-[3-chloro-4-[(3,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-4-fluoro-N-methylbenzamide
SMILESCNC(=O)c1ccc(F)c(-n2c(C)cc(OCc3ccc(F)c(F)c3)c(Cl)c2=O)c1
InChIInChI=1S/C21H16ClF3N2O3/c1-11-7-18(30-10-12-3-5-14(23)16(25)8-12)19(22)21(29)27(11)17-9-13(20(28)26-2)4-6-15(17)24/h3-9H,10H2,1-2H3,(H,26,28)
InChIKeyKZCYDJQJJVGPSM-UHFFFAOYSA-N
MW436.82 g/mol
LogP4.16
Rot. Bonds5

About 3-[3-chloro-4-[(3,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-4-fluoro-N-methylbenzamide

3-[3-chloro-4-[(3,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-4-fluoro-N-methylbenzamide (PubChem CID 21035311) has the molecular formula C21H16ClF3N2O3 and a molecular weight of 436.82 g/mol. Its IUPAC name is 3-[3-chloro-4-[(3,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-4-fluoro-N-methylbenzamide.

Molecular Properties

Compound Name3-[3-chloro-4-[(3,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-4-fluoro-N-methylbenzamide
PubChem CID21035311
Molecular FormulaC21H16ClF3N2O3
Molecular Weight436.82 g/mol
Exact Mass436.08
IUPAC Name3-[3-chloro-4-[(3,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-4-fluoro-N-methylbenzamide
SMILESCNC(=O)c1ccc(F)c(-n2c(C)cc(OCc3ccc(F)c(F)c3)c(Cl)c2=O)c1
InChIInChI=1S/C21H16ClF3N2O3/c1-11-7-18(30-10-12-3-5-14(23)16(25)8-12)19(22)21(29)27(11)17-9-13(20(28)26-2)4-6-15(17)24/h3-9H,10H2,1-2H3,(H,26,28)
InChIKeyKZCYDJQJJVGPSM-UHFFFAOYSA-N
XLogP4.16
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 ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-chloro-4-[(3,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-4-fluoro-N-methylbenzamide?
The IUPAC name of 3-[3-chloro-4-[(3,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-4-fluoro-N-methylbenzamide (CID 21035311) is 3-[3-chloro-4-[(3,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-4-fluoro-N-methylbenzamide.
What is the SMILES notation for 3-[3-chloro-4-[(3,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-4-fluoro-N-methylbenzamide?
The canonical SMILES for 3-[3-chloro-4-[(3,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-4-fluoro-N-methylbenzamide is CNC(=O)c1ccc(F)c(-n2c(C)cc(OCc3ccc(F)c(F)c3)c(Cl)c2=O)c1.
What is the InChIKey of 3-[3-chloro-4-[(3,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-4-fluoro-N-methylbenzamide?
The InChIKey is KZCYDJQJJVGPSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClF3N2O3/c1-11-7-18(30-10-12-3-5-14(23)16(25)8-12)19(22)21(29)27(11)17-9-13(20(28)26-2)4-6-15(17)24/h3-9H,10H2,1-2H3,(H,26,28).
What are the key properties of 3-[3-chloro-4-[(3,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-4-fluoro-N-methylbenzamide?
3-[3-chloro-4-[(3,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-4-fluoro-N-methylbenzamide has a molecular weight of 436.82 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-chloro-4-[(3,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-4-fluoro-N-methylbenzamide is sourced from PubChem (CID 21035311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).