6-[4-[(3-chlorophenyl)methylamino]phenyl]-1,3-diazinane-2,4-dione

C17H16ClN3O2 — CID 154843183

IUPAC6-[4-[(3-chlorophenyl)methylamino]phenyl]-1,3-diazinane-2,4-dione
SMILESO=C1CC(c2ccc(NCc3cccc(Cl)c3)cc2)NC(=O)N1
InChIInChI=1S/C17H16ClN3O2/c18-13-3-1-2-11(8-13)10-19-14-6-4-12(5-7-14)15-9-16(22)21-17(23)20-15/h1-8,15,19H,9-10H2,(H2,20,21,22,23)
InChIKeyVJHOUSODFZVCKU-UHFFFAOYSA-N
MW329.79 g/mol
LogP3.22
Rot. Bonds4

About 6-[4-[(3-chlorophenyl)methylamino]phenyl]-1,3-diazinane-2,4-dione

6-[4-[(3-chlorophenyl)methylamino]phenyl]-1,3-diazinane-2,4-dione (PubChem CID 154843183) has the molecular formula C17H16ClN3O2 and a molecular weight of 329.79 g/mol. Its IUPAC name is 6-[4-[(3-chlorophenyl)methylamino]phenyl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name6-[4-[(3-chlorophenyl)methylamino]phenyl]-1,3-diazinane-2,4-dione
PubChem CID154843183
Molecular FormulaC17H16ClN3O2
Molecular Weight329.79 g/mol
Exact Mass329.09
IUPAC Name6-[4-[(3-chlorophenyl)methylamino]phenyl]-1,3-diazinane-2,4-dione
SMILESO=C1CC(c2ccc(NCc3cccc(Cl)c3)cc2)NC(=O)N1
InChIInChI=1S/C17H16ClN3O2/c18-13-3-1-2-11(8-13)10-19-14-6-4-12(5-7-14)15-9-16(22)21-17(23)20-15/h1-8,15,19H,9-10H2,(H2,20,21,22,23)
InChIKeyVJHOUSODFZVCKU-UHFFFAOYSA-N
XLogP3.22
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.79
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[(3-chlorophenyl)methylamino]phenyl]-1,3-diazinane-2,4-dione?
The IUPAC name of 6-[4-[(3-chlorophenyl)methylamino]phenyl]-1,3-diazinane-2,4-dione (CID 154843183) is 6-[4-[(3-chlorophenyl)methylamino]phenyl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 6-[4-[(3-chlorophenyl)methylamino]phenyl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 6-[4-[(3-chlorophenyl)methylamino]phenyl]-1,3-diazinane-2,4-dione is O=C1CC(c2ccc(NCc3cccc(Cl)c3)cc2)NC(=O)N1.
What is the InChIKey of 6-[4-[(3-chlorophenyl)methylamino]phenyl]-1,3-diazinane-2,4-dione?
The InChIKey is VJHOUSODFZVCKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O2/c18-13-3-1-2-11(8-13)10-19-14-6-4-12(5-7-14)15-9-16(22)21-17(23)20-15/h1-8,15,19H,9-10H2,(H2,20,21,22,23).
What are the key properties of 6-[4-[(3-chlorophenyl)methylamino]phenyl]-1,3-diazinane-2,4-dione?
6-[4-[(3-chlorophenyl)methylamino]phenyl]-1,3-diazinane-2,4-dione has a molecular weight of 329.79 g/mol, XLogP of 3.22, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(3-chlorophenyl)methylamino]phenyl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 154843183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).