1-[(4-chlorophenyl)methyl]-6-(3-fluoro-4-propan-2-yloxyanilino)-1,3,5-triazine-2,4-dione

C19H18ClFN4O3 — CID 58578376

IUPAC1-[(4-chlorophenyl)methyl]-6-(3-fluoro-4-propan-2-yloxyanilino)-1,3,5-triazine-2,4-dione
SMILESCC(C)Oc1ccc(Nc2nc(=O)[nH]c(=O)n2Cc2ccc(Cl)cc2)cc1F
InChIInChI=1S/C19H18ClFN4O3/c1-11(2)28-16-8-7-14(9-15(16)21)22-17-23-18(26)24-19(27)25(17)10-12-3-5-13(20)6-4-12/h3-9,11H,10H2,1-2H3,(H2,22,23,24,26,27)
InChIKeyAJVAAPSNYAVHDF-UHFFFAOYSA-N
MW404.83 g/mol
LogP3.30
Rot. Bonds6

About 1-[(4-chlorophenyl)methyl]-6-(3-fluoro-4-propan-2-yloxyanilino)-1,3,5-triazine-2,4-dione

1-[(4-chlorophenyl)methyl]-6-(3-fluoro-4-propan-2-yloxyanilino)-1,3,5-triazine-2,4-dione (PubChem CID 58578376) has the molecular formula C19H18ClFN4O3 and a molecular weight of 404.83 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-6-(3-fluoro-4-propan-2-yloxyanilino)-1,3,5-triazine-2,4-dione.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-6-(3-fluoro-4-propan-2-yloxyanilino)-1,3,5-triazine-2,4-dione
PubChem CID58578376
Molecular FormulaC19H18ClFN4O3
Molecular Weight404.83 g/mol
Exact Mass404.11
IUPAC Name1-[(4-chlorophenyl)methyl]-6-(3-fluoro-4-propan-2-yloxyanilino)-1,3,5-triazine-2,4-dione
SMILESCC(C)Oc1ccc(Nc2nc(=O)[nH]c(=O)n2Cc2ccc(Cl)cc2)cc1F
InChIInChI=1S/C19H18ClFN4O3/c1-11(2)28-16-8-7-14(9-15(16)21)22-17-23-18(26)24-19(27)25(17)10-12-3-5-13(20)6-4-12/h3-9,11H,10H2,1-2H3,(H2,22,23,24,26,27)
InChIKeyAJVAAPSNYAVHDF-UHFFFAOYSA-N
XLogP3.30
TPSA89.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.83
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-6-(3-fluoro-4-propan-2-yloxyanilino)-1,3,5-triazine-2,4-dione?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-6-(3-fluoro-4-propan-2-yloxyanilino)-1,3,5-triazine-2,4-dione (CID 58578376) is 1-[(4-chlorophenyl)methyl]-6-(3-fluoro-4-propan-2-yloxyanilino)-1,3,5-triazine-2,4-dione.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-6-(3-fluoro-4-propan-2-yloxyanilino)-1,3,5-triazine-2,4-dione?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-6-(3-fluoro-4-propan-2-yloxyanilino)-1,3,5-triazine-2,4-dione is CC(C)Oc1ccc(Nc2nc(=O)[nH]c(=O)n2Cc2ccc(Cl)cc2)cc1F.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-6-(3-fluoro-4-propan-2-yloxyanilino)-1,3,5-triazine-2,4-dione?
The InChIKey is AJVAAPSNYAVHDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClFN4O3/c1-11(2)28-16-8-7-14(9-15(16)21)22-17-23-18(26)24-19(27)25(17)10-12-3-5-13(20)6-4-12/h3-9,11H,10H2,1-2H3,(H2,22,23,24,26,27).
What are the key properties of 1-[(4-chlorophenyl)methyl]-6-(3-fluoro-4-propan-2-yloxyanilino)-1,3,5-triazine-2,4-dione?
1-[(4-chlorophenyl)methyl]-6-(3-fluoro-4-propan-2-yloxyanilino)-1,3,5-triazine-2,4-dione has a molecular weight of 404.83 g/mol, XLogP of 3.30, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-6-(3-fluoro-4-propan-2-yloxyanilino)-1,3,5-triazine-2,4-dione is sourced from PubChem (CID 58578376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).