1-[4-chloro-3-[4-(4-fluoro-3-methylphenyl)-6-methoxy-1,3,5-triazin-2-yl]phenyl]ethanone

C19H15ClFN3O2 — CID 118399244

IUPAC1-[4-chloro-3-[4-(4-fluoro-3-methylphenyl)-6-methoxy-1,3,5-triazin-2-yl]phenyl]ethanone
SMILESCOc1nc(-c2ccc(F)c(C)c2)nc(-c2cc(C(C)=O)ccc2Cl)n1
InChIInChI=1S/C19H15ClFN3O2/c1-10-8-13(5-7-16(10)21)17-22-18(24-19(23-17)26-3)14-9-12(11(2)25)4-6-15(14)20/h4-9H,1-3H3
InChIKeyPZBNZZRLAVYQIM-UHFFFAOYSA-N
MW371.80 g/mol
LogP4.52
Rot. Bonds4

About 1-[4-chloro-3-[4-(4-fluoro-3-methylphenyl)-6-methoxy-1,3,5-triazin-2-yl]phenyl]ethanone

1-[4-chloro-3-[4-(4-fluoro-3-methylphenyl)-6-methoxy-1,3,5-triazin-2-yl]phenyl]ethanone (PubChem CID 118399244) has the molecular formula C19H15ClFN3O2 and a molecular weight of 371.80 g/mol. Its IUPAC name is 1-[4-chloro-3-[4-(4-fluoro-3-methylphenyl)-6-methoxy-1,3,5-triazin-2-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-chloro-3-[4-(4-fluoro-3-methylphenyl)-6-methoxy-1,3,5-triazin-2-yl]phenyl]ethanone
PubChem CID118399244
Molecular FormulaC19H15ClFN3O2
Molecular Weight371.80 g/mol
Exact Mass371.08
IUPAC Name1-[4-chloro-3-[4-(4-fluoro-3-methylphenyl)-6-methoxy-1,3,5-triazin-2-yl]phenyl]ethanone
SMILESCOc1nc(-c2ccc(F)c(C)c2)nc(-c2cc(C(C)=O)ccc2Cl)n1
InChIInChI=1S/C19H15ClFN3O2/c1-10-8-13(5-7-16(10)21)17-22-18(24-19(23-17)26-3)14-9-12(11(2)25)4-6-15(14)20/h4-9H,1-3H3
InChIKeyPZBNZZRLAVYQIM-UHFFFAOYSA-N
XLogP4.52
TPSA64.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.80
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-3-[4-(4-fluoro-3-methylphenyl)-6-methoxy-1,3,5-triazin-2-yl]phenyl]ethanone?
The IUPAC name of 1-[4-chloro-3-[4-(4-fluoro-3-methylphenyl)-6-methoxy-1,3,5-triazin-2-yl]phenyl]ethanone (CID 118399244) is 1-[4-chloro-3-[4-(4-fluoro-3-methylphenyl)-6-methoxy-1,3,5-triazin-2-yl]phenyl]ethanone.
What is the SMILES notation for 1-[4-chloro-3-[4-(4-fluoro-3-methylphenyl)-6-methoxy-1,3,5-triazin-2-yl]phenyl]ethanone?
The canonical SMILES for 1-[4-chloro-3-[4-(4-fluoro-3-methylphenyl)-6-methoxy-1,3,5-triazin-2-yl]phenyl]ethanone is COc1nc(-c2ccc(F)c(C)c2)nc(-c2cc(C(C)=O)ccc2Cl)n1.
What is the InChIKey of 1-[4-chloro-3-[4-(4-fluoro-3-methylphenyl)-6-methoxy-1,3,5-triazin-2-yl]phenyl]ethanone?
The InChIKey is PZBNZZRLAVYQIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClFN3O2/c1-10-8-13(5-7-16(10)21)17-22-18(24-19(23-17)26-3)14-9-12(11(2)25)4-6-15(14)20/h4-9H,1-3H3.
What are the key properties of 1-[4-chloro-3-[4-(4-fluoro-3-methylphenyl)-6-methoxy-1,3,5-triazin-2-yl]phenyl]ethanone?
1-[4-chloro-3-[4-(4-fluoro-3-methylphenyl)-6-methoxy-1,3,5-triazin-2-yl]phenyl]ethanone has a molecular weight of 371.80 g/mol, XLogP of 4.52, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-3-[4-(4-fluoro-3-methylphenyl)-6-methoxy-1,3,5-triazin-2-yl]phenyl]ethanone is sourced from PubChem (CID 118399244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).