6-[(3-fluorophenyl)-(methylamino)methyl]-4H-1,4-benzoxazin-3-one

C16H15FN2O2 — CID 43486591

IUPAC6-[(3-fluorophenyl)-(methylamino)methyl]-4H-1,4-benzoxazin-3-one
SMILESCNC(c1cccc(F)c1)c1ccc2c(c1)NC(=O)CO2
InChIInChI=1S/C16H15FN2O2/c1-18-16(10-3-2-4-12(17)7-10)11-5-6-14-13(8-11)19-15(20)9-21-14/h2-8,16,18H,9H2,1H3,(H,19,20)
InChIKeyGUUTUFNDILYUII-UHFFFAOYSA-N
MW286.31 g/mol
LogP2.47
Rot. Bonds3

About 6-[(3-fluorophenyl)-(methylamino)methyl]-4H-1,4-benzoxazin-3-one

6-[(3-fluorophenyl)-(methylamino)methyl]-4H-1,4-benzoxazin-3-one (PubChem CID 43486591) has the molecular formula C16H15FN2O2 and a molecular weight of 286.31 g/mol. Its IUPAC name is 6-[(3-fluorophenyl)-(methylamino)methyl]-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6-[(3-fluorophenyl)-(methylamino)methyl]-4H-1,4-benzoxazin-3-one
PubChem CID43486591
Molecular FormulaC16H15FN2O2
Molecular Weight286.31 g/mol
Exact Mass286.11
IUPAC Name6-[(3-fluorophenyl)-(methylamino)methyl]-4H-1,4-benzoxazin-3-one
SMILESCNC(c1cccc(F)c1)c1ccc2c(c1)NC(=O)CO2
InChIInChI=1S/C16H15FN2O2/c1-18-16(10-3-2-4-12(17)7-10)11-5-6-14-13(8-11)19-15(20)9-21-14/h2-8,16,18H,9H2,1H3,(H,19,20)
InChIKeyGUUTUFNDILYUII-UHFFFAOYSA-N
XLogP2.47
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-[chloro-(3-fluorophenyl)methyl]-4H-1,4-benzoxazin-3-one
CID 61084818
6-[ethylamino(phenyl)methyl]-4H-1,4-benzoxazin-3-one
CID 43492891
6-[1-chloro-2-(3-fluorophenyl)ethyl]-4H-1,4-benzoxazin-3-one
CID 61086056
6-[(4,5-dimethylthiophen-2-yl)-(methylamino)methyl]-4H-1,4-benzoxazin-3-one
CID 65237500
2-(methylamino)-2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetaldehyde
CID 116954205
6-[2,2,3,3,3-pentafluoro-1-(methylamino)propyl]-4H-1,4-benzoxazin-3-one
CID 43486562
6-[1-(4-fluorophenyl)ethylamino]-4H-1,4-benzoxazin-3-one
CID 43181500
6-[(1-aminocyclopropyl)-(methylamino)methyl]-4H-1,4-benzoxazin-3-one
CID 116961235
6-[bromo-(3-methylphenyl)methyl]-4H-1,4-benzoxazin-3-one
CID 61098369
6-[3-chloro-1-(methylamino)propyl]-4H-1,4-benzoxazin-3-one
CID 116952795
6-[1-hydroxy-3-(methylamino)propyl]-4H-1,4-benzoxazin-3-one
CID 82496759
6-[chloro(dimethylamino)methyl]-4H-1,4-benzoxazin-3-one
CID 116915239

Frequently Asked Questions

What is the IUPAC name of 6-[(3-fluorophenyl)-(methylamino)methyl]-4H-1,4-benzoxazin-3-one?
The IUPAC name of 6-[(3-fluorophenyl)-(methylamino)methyl]-4H-1,4-benzoxazin-3-one (CID 43486591) is 6-[(3-fluorophenyl)-(methylamino)methyl]-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 6-[(3-fluorophenyl)-(methylamino)methyl]-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 6-[(3-fluorophenyl)-(methylamino)methyl]-4H-1,4-benzoxazin-3-one is CNC(c1cccc(F)c1)c1ccc2c(c1)NC(=O)CO2.
What is the InChIKey of 6-[(3-fluorophenyl)-(methylamino)methyl]-4H-1,4-benzoxazin-3-one?
The InChIKey is GUUTUFNDILYUII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O2/c1-18-16(10-3-2-4-12(17)7-10)11-5-6-14-13(8-11)19-15(20)9-21-14/h2-8,16,18H,9H2,1H3,(H,19,20).
What are the key properties of 6-[(3-fluorophenyl)-(methylamino)methyl]-4H-1,4-benzoxazin-3-one?
6-[(3-fluorophenyl)-(methylamino)methyl]-4H-1,4-benzoxazin-3-one has a molecular weight of 286.31 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-fluorophenyl)-(methylamino)methyl]-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 43486591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).