3-[2-(3-chlorophenyl)propan-2-yl]-5-(2-fluorophenyl)-6-methyl-2H-1,3-oxazin-4-one

C20H19ClFNO2 — CID 15300848

IUPAC3-[2-(3-chlorophenyl)propan-2-yl]-5-(2-fluorophenyl)-6-methyl-2H-1,3-oxazin-4-one
SMILESCC1=C(c2ccccc2F)C(=O)N(C(C)(C)c2cccc(Cl)c2)CO1
InChIInChI=1S/C20H19ClFNO2/c1-13-18(16-9-4-5-10-17(16)22)19(24)23(12-25-13)20(2,3)14-7-6-8-15(21)11-14/h4-11H,12H2,1-3H3
InChIKeyXTNMJBDNRDGKQC-UHFFFAOYSA-N
MW359.83 g/mol
LogP4.96
Rot. Bonds3

About 3-[2-(3-chlorophenyl)propan-2-yl]-5-(2-fluorophenyl)-6-methyl-2H-1,3-oxazin-4-one

3-[2-(3-chlorophenyl)propan-2-yl]-5-(2-fluorophenyl)-6-methyl-2H-1,3-oxazin-4-one (PubChem CID 15300848) has the molecular formula C20H19ClFNO2 and a molecular weight of 359.83 g/mol. Its IUPAC name is 3-[2-(3-chlorophenyl)propan-2-yl]-5-(2-fluorophenyl)-6-methyl-2H-1,3-oxazin-4-one.

Molecular Properties

Compound Name3-[2-(3-chlorophenyl)propan-2-yl]-5-(2-fluorophenyl)-6-methyl-2H-1,3-oxazin-4-one
PubChem CID15300848
Molecular FormulaC20H19ClFNO2
Molecular Weight359.83 g/mol
Exact Mass359.11
IUPAC Name3-[2-(3-chlorophenyl)propan-2-yl]-5-(2-fluorophenyl)-6-methyl-2H-1,3-oxazin-4-one
SMILESCC1=C(c2ccccc2F)C(=O)N(C(C)(C)c2cccc(Cl)c2)CO1
InChIInChI=1S/C20H19ClFNO2/c1-13-18(16-9-4-5-10-17(16)22)19(24)23(12-25-13)20(2,3)14-7-6-8-15(21)11-14/h4-11H,12H2,1-3H3
InChIKeyXTNMJBDNRDGKQC-UHFFFAOYSA-N
XLogP4.96
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.83
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-chlorophenyl)propan-2-yl]-5-(2-fluorophenyl)-6-methyl-2H-1,3-oxazin-4-one?
The IUPAC name of 3-[2-(3-chlorophenyl)propan-2-yl]-5-(2-fluorophenyl)-6-methyl-2H-1,3-oxazin-4-one (CID 15300848) is 3-[2-(3-chlorophenyl)propan-2-yl]-5-(2-fluorophenyl)-6-methyl-2H-1,3-oxazin-4-one.
What is the SMILES notation for 3-[2-(3-chlorophenyl)propan-2-yl]-5-(2-fluorophenyl)-6-methyl-2H-1,3-oxazin-4-one?
The canonical SMILES for 3-[2-(3-chlorophenyl)propan-2-yl]-5-(2-fluorophenyl)-6-methyl-2H-1,3-oxazin-4-one is CC1=C(c2ccccc2F)C(=O)N(C(C)(C)c2cccc(Cl)c2)CO1.
What is the InChIKey of 3-[2-(3-chlorophenyl)propan-2-yl]-5-(2-fluorophenyl)-6-methyl-2H-1,3-oxazin-4-one?
The InChIKey is XTNMJBDNRDGKQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClFNO2/c1-13-18(16-9-4-5-10-17(16)22)19(24)23(12-25-13)20(2,3)14-7-6-8-15(21)11-14/h4-11H,12H2,1-3H3.
What are the key properties of 3-[2-(3-chlorophenyl)propan-2-yl]-5-(2-fluorophenyl)-6-methyl-2H-1,3-oxazin-4-one?
3-[2-(3-chlorophenyl)propan-2-yl]-5-(2-fluorophenyl)-6-methyl-2H-1,3-oxazin-4-one has a molecular weight of 359.83 g/mol, XLogP of 4.96, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-chlorophenyl)propan-2-yl]-5-(2-fluorophenyl)-6-methyl-2H-1,3-oxazin-4-one is sourced from PubChem (CID 15300848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).