4-(3,4-difluorophenyl)-1-(1-phenylethyl)-1,3-diazinan-2-one

C18H18F2N2O — CID 20709282

IUPAC4-(3,4-difluorophenyl)-1-(1-phenylethyl)-1,3-diazinan-2-one
SMILESCC(c1ccccc1)N1CCC(c2ccc(F)c(F)c2)NC1=O
InChIInChI=1S/C18H18F2N2O/c1-12(13-5-3-2-4-6-13)22-10-9-17(21-18(22)23)14-7-8-15(19)16(20)11-14/h2-8,11-12,17H,9-10H2,1H3,(H,21,23)
InChIKeyAMZACZHEWJNXSW-UHFFFAOYSA-N
MW316.35 g/mol
LogP4.18
Rot. Bonds3

About 4-(3,4-difluorophenyl)-1-(1-phenylethyl)-1,3-diazinan-2-one

4-(3,4-difluorophenyl)-1-(1-phenylethyl)-1,3-diazinan-2-one (PubChem CID 20709282) has the molecular formula C18H18F2N2O and a molecular weight of 316.35 g/mol. Its IUPAC name is 4-(3,4-difluorophenyl)-1-(1-phenylethyl)-1,3-diazinan-2-one.

Molecular Properties

Compound Name4-(3,4-difluorophenyl)-1-(1-phenylethyl)-1,3-diazinan-2-one
PubChem CID20709282
Molecular FormulaC18H18F2N2O
Molecular Weight316.35 g/mol
Exact Mass316.14
IUPAC Name4-(3,4-difluorophenyl)-1-(1-phenylethyl)-1,3-diazinan-2-one
SMILESCC(c1ccccc1)N1CCC(c2ccc(F)c(F)c2)NC1=O
InChIInChI=1S/C18H18F2N2O/c1-12(13-5-3-2-4-6-13)22-10-9-17(21-18(22)23)14-7-8-15(19)16(20)11-14/h2-8,11-12,17H,9-10H2,1H3,(H,21,23)
InChIKeyAMZACZHEWJNXSW-UHFFFAOYSA-N
XLogP4.18
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-difluorophenyl)-1-(1-phenylethyl)-1,3-diazinan-2-one?
The IUPAC name of 4-(3,4-difluorophenyl)-1-(1-phenylethyl)-1,3-diazinan-2-one (CID 20709282) is 4-(3,4-difluorophenyl)-1-(1-phenylethyl)-1,3-diazinan-2-one.
What is the SMILES notation for 4-(3,4-difluorophenyl)-1-(1-phenylethyl)-1,3-diazinan-2-one?
The canonical SMILES for 4-(3,4-difluorophenyl)-1-(1-phenylethyl)-1,3-diazinan-2-one is CC(c1ccccc1)N1CCC(c2ccc(F)c(F)c2)NC1=O.
What is the InChIKey of 4-(3,4-difluorophenyl)-1-(1-phenylethyl)-1,3-diazinan-2-one?
The InChIKey is AMZACZHEWJNXSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N2O/c1-12(13-5-3-2-4-6-13)22-10-9-17(21-18(22)23)14-7-8-15(19)16(20)11-14/h2-8,11-12,17H,9-10H2,1H3,(H,21,23).
What are the key properties of 4-(3,4-difluorophenyl)-1-(1-phenylethyl)-1,3-diazinan-2-one?
4-(3,4-difluorophenyl)-1-(1-phenylethyl)-1,3-diazinan-2-one has a molecular weight of 316.35 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-difluorophenyl)-1-(1-phenylethyl)-1,3-diazinan-2-one is sourced from PubChem (CID 20709282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).