3-[(4-bromo-2-fluorophenyl)methyl]-4-methyl-5-propyl-1,3-oxazine-2,6-dione

C15H15BrFNO3 — CID 87311444

IUPAC3-[(4-bromo-2-fluorophenyl)methyl]-4-methyl-5-propyl-1,3-oxazine-2,6-dione
SMILESCCCc1c(C)n(Cc2ccc(Br)cc2F)c(=O)oc1=O
InChIInChI=1S/C15H15BrFNO3/c1-3-4-12-9(2)18(15(20)21-14(12)19)8-10-5-6-11(16)7-13(10)17/h5-7H,3-4,8H2,1-2H3
InChIKeyYVUHTEWRXRRCJF-UHFFFAOYSA-N
MW356.19 g/mol
LogP3.01
Rot. Bonds4

About 3-[(4-bromo-2-fluorophenyl)methyl]-4-methyl-5-propyl-1,3-oxazine-2,6-dione

3-[(4-bromo-2-fluorophenyl)methyl]-4-methyl-5-propyl-1,3-oxazine-2,6-dione (PubChem CID 87311444) has the molecular formula C15H15BrFNO3 and a molecular weight of 356.19 g/mol. Its IUPAC name is 3-[(4-bromo-2-fluorophenyl)methyl]-4-methyl-5-propyl-1,3-oxazine-2,6-dione.

Molecular Properties

Compound Name3-[(4-bromo-2-fluorophenyl)methyl]-4-methyl-5-propyl-1,3-oxazine-2,6-dione
PubChem CID87311444
Molecular FormulaC15H15BrFNO3
Molecular Weight356.19 g/mol
Exact Mass355.02
IUPAC Name3-[(4-bromo-2-fluorophenyl)methyl]-4-methyl-5-propyl-1,3-oxazine-2,6-dione
SMILESCCCc1c(C)n(Cc2ccc(Br)cc2F)c(=O)oc1=O
InChIInChI=1S/C15H15BrFNO3/c1-3-4-12-9(2)18(15(20)21-14(12)19)8-10-5-6-11(16)7-13(10)17/h5-7H,3-4,8H2,1-2H3
InChIKeyYVUHTEWRXRRCJF-UHFFFAOYSA-N
XLogP3.01
TPSA52.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.19
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromo-2-fluorophenyl)methyl]-4-methyl-5-propyl-1,3-oxazine-2,6-dione?
The IUPAC name of 3-[(4-bromo-2-fluorophenyl)methyl]-4-methyl-5-propyl-1,3-oxazine-2,6-dione (CID 87311444) is 3-[(4-bromo-2-fluorophenyl)methyl]-4-methyl-5-propyl-1,3-oxazine-2,6-dione.
What is the SMILES notation for 3-[(4-bromo-2-fluorophenyl)methyl]-4-methyl-5-propyl-1,3-oxazine-2,6-dione?
The canonical SMILES for 3-[(4-bromo-2-fluorophenyl)methyl]-4-methyl-5-propyl-1,3-oxazine-2,6-dione is CCCc1c(C)n(Cc2ccc(Br)cc2F)c(=O)oc1=O.
What is the InChIKey of 3-[(4-bromo-2-fluorophenyl)methyl]-4-methyl-5-propyl-1,3-oxazine-2,6-dione?
The InChIKey is YVUHTEWRXRRCJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFNO3/c1-3-4-12-9(2)18(15(20)21-14(12)19)8-10-5-6-11(16)7-13(10)17/h5-7H,3-4,8H2,1-2H3.
What are the key properties of 3-[(4-bromo-2-fluorophenyl)methyl]-4-methyl-5-propyl-1,3-oxazine-2,6-dione?
3-[(4-bromo-2-fluorophenyl)methyl]-4-methyl-5-propyl-1,3-oxazine-2,6-dione has a molecular weight of 356.19 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromo-2-fluorophenyl)methyl]-4-methyl-5-propyl-1,3-oxazine-2,6-dione is sourced from PubChem (CID 87311444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).