7-[(4-fluorophenyl)methyl-methylamino]-4-methyl-1,4-benzoxazin-3-one

C17H17FN2O2 — CID 24886669

IUPAC7-[(4-fluorophenyl)methyl-methylamino]-4-methyl-1,4-benzoxazin-3-one
SMILESCN(Cc1ccc(F)cc1)c1ccc2c(c1)OCC(=O)N2C
InChIInChI=1S/C17H17FN2O2/c1-19(10-12-3-5-13(18)6-4-12)14-7-8-15-16(9-14)22-11-17(21)20(15)2/h3-9H,10-11H2,1-2H3
InChIKeyTWUKRCPAYYNAKL-UHFFFAOYSA-N
MW300.33 g/mol
LogP2.82
Rot. Bonds3

About 7-[(4-fluorophenyl)methyl-methylamino]-4-methyl-1,4-benzoxazin-3-one

7-[(4-fluorophenyl)methyl-methylamino]-4-methyl-1,4-benzoxazin-3-one (PubChem CID 24886669) has the molecular formula C17H17FN2O2 and a molecular weight of 300.33 g/mol. Its IUPAC name is 7-[(4-fluorophenyl)methyl-methylamino]-4-methyl-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name7-[(4-fluorophenyl)methyl-methylamino]-4-methyl-1,4-benzoxazin-3-one
PubChem CID24886669
Molecular FormulaC17H17FN2O2
Molecular Weight300.33 g/mol
Exact Mass300.13
IUPAC Name7-[(4-fluorophenyl)methyl-methylamino]-4-methyl-1,4-benzoxazin-3-one
SMILESCN(Cc1ccc(F)cc1)c1ccc2c(c1)OCC(=O)N2C
InChIInChI=1S/C17H17FN2O2/c1-19(10-12-3-5-13(18)6-4-12)14-7-8-15-16(9-14)22-11-17(21)20(15)2/h3-9H,10-11H2,1-2H3
InChIKeyTWUKRCPAYYNAKL-UHFFFAOYSA-N
XLogP2.82
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.33
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-[(4-fluorophenyl)methyl-methylamino]-4-methyl-1,4-benzoxazin-3-one?
The IUPAC name of 7-[(4-fluorophenyl)methyl-methylamino]-4-methyl-1,4-benzoxazin-3-one (CID 24886669) is 7-[(4-fluorophenyl)methyl-methylamino]-4-methyl-1,4-benzoxazin-3-one.
What is the SMILES notation for 7-[(4-fluorophenyl)methyl-methylamino]-4-methyl-1,4-benzoxazin-3-one?
The canonical SMILES for 7-[(4-fluorophenyl)methyl-methylamino]-4-methyl-1,4-benzoxazin-3-one is CN(Cc1ccc(F)cc1)c1ccc2c(c1)OCC(=O)N2C.
What is the InChIKey of 7-[(4-fluorophenyl)methyl-methylamino]-4-methyl-1,4-benzoxazin-3-one?
The InChIKey is TWUKRCPAYYNAKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O2/c1-19(10-12-3-5-13(18)6-4-12)14-7-8-15-16(9-14)22-11-17(21)20(15)2/h3-9H,10-11H2,1-2H3.
What are the key properties of 7-[(4-fluorophenyl)methyl-methylamino]-4-methyl-1,4-benzoxazin-3-one?
7-[(4-fluorophenyl)methyl-methylamino]-4-methyl-1,4-benzoxazin-3-one has a molecular weight of 300.33 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-fluorophenyl)methyl-methylamino]-4-methyl-1,4-benzoxazin-3-one is sourced from PubChem (CID 24886669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).