6-[(2-fluoroanilino)methyl]-4H-1,4-benzoxazin-3-one

C15H13FN2O2 — CID 103075300

IUPAC6-[(2-fluoroanilino)methyl]-4H-1,4-benzoxazin-3-one
SMILESO=C1COc2ccc(CNc3ccccc3F)cc2N1
InChIInChI=1S/C15H13FN2O2/c16-11-3-1-2-4-12(11)17-8-10-5-6-14-13(7-10)18-15(19)9-20-14/h1-7,17H,8-9H2,(H,18,19)
InChIKeySWXKKTAJQPTYGD-UHFFFAOYSA-N
MW272.28 g/mol
LogP2.77
Rot. Bonds3

About 6-[(2-fluoroanilino)methyl]-4H-1,4-benzoxazin-3-one

6-[(2-fluoroanilino)methyl]-4H-1,4-benzoxazin-3-one (PubChem CID 103075300) has the molecular formula C15H13FN2O2 and a molecular weight of 272.28 g/mol. Its IUPAC name is 6-[(2-fluoroanilino)methyl]-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6-[(2-fluoroanilino)methyl]-4H-1,4-benzoxazin-3-one
PubChem CID103075300
Molecular FormulaC15H13FN2O2
Molecular Weight272.28 g/mol
Exact Mass272.10
IUPAC Name6-[(2-fluoroanilino)methyl]-4H-1,4-benzoxazin-3-one
SMILESO=C1COc2ccc(CNc3ccccc3F)cc2N1
InChIInChI=1S/C15H13FN2O2/c16-11-3-1-2-4-12(11)17-8-10-5-6-14-13(7-10)18-15(19)9-20-14/h1-7,17H,8-9H2,(H,18,19)
InChIKeySWXKKTAJQPTYGD-UHFFFAOYSA-N
XLogP2.77
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.28
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-[(2-aminoanilino)methyl]-4H-1,4-benzoxazin-3-one
CID 115124473
6-[(2,4-dichloroanilino)methyl]-4H-1,4-benzoxazin-3-one
CID 103075268
6-[(4-chloro-2-methylanilino)methyl]-4H-1,4-benzoxazin-3-one
CID 103075331
6-[(2,6-dichloroanilino)methyl]-4H-1,4-benzoxazin-3-one
CID 103075638
6-[(4-methylanilino)methyl]-4H-1,4-benzoxazin-3-one
CID 103075325
6-[(4-iodoanilino)methyl]-4H-1,4-benzoxazin-3-one
CID 103075376
6-[(3,5-dichloroanilino)methyl]-4H-1,4-benzoxazin-3-one
CID 103075278
6-[[(4-chloro-3-pyridinyl)amino]methyl]-4H-1,4-benzoxazin-3-one
CID 103075745
6-[(2-phenylethylamino)methyl]-4H-1,4-benzoxazin-3-one
CID 103075286
4-fluoro-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]benzamide
CID 110738398
6-[(2-chloro-6-methylanilino)methyl]-4H-1,4-benzoxazin-3-one
CID 103075654
6-[[(1-methylcyclopropyl)amino]methyl]-4H-1,4-benzoxazin-3-one
CID 103075790

Frequently Asked Questions

What is the IUPAC name of 6-[(2-fluoroanilino)methyl]-4H-1,4-benzoxazin-3-one?
The IUPAC name of 6-[(2-fluoroanilino)methyl]-4H-1,4-benzoxazin-3-one (CID 103075300) is 6-[(2-fluoroanilino)methyl]-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 6-[(2-fluoroanilino)methyl]-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 6-[(2-fluoroanilino)methyl]-4H-1,4-benzoxazin-3-one is O=C1COc2ccc(CNc3ccccc3F)cc2N1.
What is the InChIKey of 6-[(2-fluoroanilino)methyl]-4H-1,4-benzoxazin-3-one?
The InChIKey is SWXKKTAJQPTYGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O2/c16-11-3-1-2-4-12(11)17-8-10-5-6-14-13(7-10)18-15(19)9-20-14/h1-7,17H,8-9H2,(H,18,19).
What are the key properties of 6-[(2-fluoroanilino)methyl]-4H-1,4-benzoxazin-3-one?
6-[(2-fluoroanilino)methyl]-4H-1,4-benzoxazin-3-one has a molecular weight of 272.28 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-fluoroanilino)methyl]-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 103075300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).