6-(3-fluoroanilino)-1-[(4-fluorophenyl)methyl]-3-propan-2-yl-1,3,5-triazinane-2,4-dione

C19H20F2N4O2 — CID 76821334

IUPAC6-(3-fluoroanilino)-1-[(4-fluorophenyl)methyl]-3-propan-2-yl-1,3,5-triazinane-2,4-dione
SMILESCC(C)N1C(=O)NC(Nc2cccc(F)c2)N(Cc2ccc(F)cc2)C1=O
InChIInChI=1S/C19H20F2N4O2/c1-12(2)25-18(26)23-17(22-16-5-3-4-15(21)10-16)24(19(25)27)11-13-6-8-14(20)9-7-13/h3-10,12,17,22H,11H2,1-2H3,(H,23,26)
InChIKeyGWTQWTJXQWPQMY-UHFFFAOYSA-N
MW374.39 g/mol
LogP3.72
Rot. Bonds5

About 6-(3-fluoroanilino)-1-[(4-fluorophenyl)methyl]-3-propan-2-yl-1,3,5-triazinane-2,4-dione

6-(3-fluoroanilino)-1-[(4-fluorophenyl)methyl]-3-propan-2-yl-1,3,5-triazinane-2,4-dione (PubChem CID 76821334) has the molecular formula C19H20F2N4O2 and a molecular weight of 374.39 g/mol. Its IUPAC name is 6-(3-fluoroanilino)-1-[(4-fluorophenyl)methyl]-3-propan-2-yl-1,3,5-triazinane-2,4-dione.

Molecular Properties

Compound Name6-(3-fluoroanilino)-1-[(4-fluorophenyl)methyl]-3-propan-2-yl-1,3,5-triazinane-2,4-dione
PubChem CID76821334
Molecular FormulaC19H20F2N4O2
Molecular Weight374.39 g/mol
Exact Mass374.16
IUPAC Name6-(3-fluoroanilino)-1-[(4-fluorophenyl)methyl]-3-propan-2-yl-1,3,5-triazinane-2,4-dione
SMILESCC(C)N1C(=O)NC(Nc2cccc(F)c2)N(Cc2ccc(F)cc2)C1=O
InChIInChI=1S/C19H20F2N4O2/c1-12(2)25-18(26)23-17(22-16-5-3-4-15(21)10-16)24(19(25)27)11-13-6-8-14(20)9-7-13/h3-10,12,17,22H,11H2,1-2H3,(H,23,26)
InChIKeyGWTQWTJXQWPQMY-UHFFFAOYSA-N
XLogP3.72
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.39
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(3-fluoroanilino)-1-[(4-fluorophenyl)methyl]-3-propan-2-yl-1,3,5-triazinane-2,4-dione?
The IUPAC name of 6-(3-fluoroanilino)-1-[(4-fluorophenyl)methyl]-3-propan-2-yl-1,3,5-triazinane-2,4-dione (CID 76821334) is 6-(3-fluoroanilino)-1-[(4-fluorophenyl)methyl]-3-propan-2-yl-1,3,5-triazinane-2,4-dione.
What is the SMILES notation for 6-(3-fluoroanilino)-1-[(4-fluorophenyl)methyl]-3-propan-2-yl-1,3,5-triazinane-2,4-dione?
The canonical SMILES for 6-(3-fluoroanilino)-1-[(4-fluorophenyl)methyl]-3-propan-2-yl-1,3,5-triazinane-2,4-dione is CC(C)N1C(=O)NC(Nc2cccc(F)c2)N(Cc2ccc(F)cc2)C1=O.
What is the InChIKey of 6-(3-fluoroanilino)-1-[(4-fluorophenyl)methyl]-3-propan-2-yl-1,3,5-triazinane-2,4-dione?
The InChIKey is GWTQWTJXQWPQMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N4O2/c1-12(2)25-18(26)23-17(22-16-5-3-4-15(21)10-16)24(19(25)27)11-13-6-8-14(20)9-7-13/h3-10,12,17,22H,11H2,1-2H3,(H,23,26).
What are the key properties of 6-(3-fluoroanilino)-1-[(4-fluorophenyl)methyl]-3-propan-2-yl-1,3,5-triazinane-2,4-dione?
6-(3-fluoroanilino)-1-[(4-fluorophenyl)methyl]-3-propan-2-yl-1,3,5-triazinane-2,4-dione has a molecular weight of 374.39 g/mol, XLogP of 3.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluoroanilino)-1-[(4-fluorophenyl)methyl]-3-propan-2-yl-1,3,5-triazinane-2,4-dione is sourced from PubChem (CID 76821334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).