6-amino-4-[(2,4-difluorophenyl)methyl]-1,4-benzoxazin-3-one

C15H12F2N2O2 — CID 62197648

IUPAC6-amino-4-[(2,4-difluorophenyl)methyl]-1,4-benzoxazin-3-one
SMILESNc1ccc2c(c1)N(Cc1ccc(F)cc1F)C(=O)CO2
InChIInChI=1S/C15H12F2N2O2/c16-10-2-1-9(12(17)5-10)7-19-13-6-11(18)3-4-14(13)21-8-15(19)20/h1-6H,7-8,18H2
InChIKeySKFXZQRNXUTEKY-UHFFFAOYSA-N
MW290.27 g/mol
LogP2.47
Rot. Bonds2

About 6-amino-4-[(2,4-difluorophenyl)methyl]-1,4-benzoxazin-3-one

6-amino-4-[(2,4-difluorophenyl)methyl]-1,4-benzoxazin-3-one (PubChem CID 62197648) has the molecular formula C15H12F2N2O2 and a molecular weight of 290.27 g/mol. Its IUPAC name is 6-amino-4-[(2,4-difluorophenyl)methyl]-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6-amino-4-[(2,4-difluorophenyl)methyl]-1,4-benzoxazin-3-one
PubChem CID62197648
Molecular FormulaC15H12F2N2O2
Molecular Weight290.27 g/mol
Exact Mass290.09
IUPAC Name6-amino-4-[(2,4-difluorophenyl)methyl]-1,4-benzoxazin-3-one
SMILESNc1ccc2c(c1)N(Cc1ccc(F)cc1F)C(=O)CO2
InChIInChI=1S/C15H12F2N2O2/c16-10-2-1-9(12(17)5-10)7-19-13-6-11(18)3-4-14(13)21-8-15(19)20/h1-6H,7-8,18H2
InChIKeySKFXZQRNXUTEKY-UHFFFAOYSA-N
XLogP2.47
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.27
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 6-amino-4-[(2,4-difluorophenyl)methyl]-1,4-benzoxazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(4-amino-2-fluorophenyl)methyl]-6-chloro-1,4-benzoxazin-3-one
CID 64768477
6-amino-4-[(4-aminophenyl)methyl]-1,4-benzoxazin-3-one
CID 115212371
6-amino-4-[(2-bromophenyl)methyl]-1,4-benzoxazin-3-one
CID 43479506
6-amino-4-(2,2-difluoroethyl)-1,4-benzoxazin-3-one
CID 60922931
6-amino-4-[(2,5-dimethylphenyl)methyl]-1,4-benzoxazin-3-one
CID 61482029
2-[(6-amino-3-oxo-1,4-benzoxazin-4-yl)methyl]benzonitrile
CID 43479505
6-amino-4-(thiophen-2-ylmethyl)-1,4-benzoxazin-3-one
CID 43479495
6-amino-4-(hydrazinylmethyl)-1,4-benzoxazin-3-one
CID 115260484
4-ethyl-6-fluoro-1,4-benzoxazin-3-one
CID 59525216
6-amino-4-(pyridin-2-ylmethyl)-1,4-benzoxazin-3-one
CID 14423588
6-amino-4-[(1-methylpyrazol-4-yl)methyl]-1,4-benzoxazin-3-one
CID 61311838
7-amino-4-[(2-methoxyphenyl)methyl]-1,4-benzoxazin-3-one
CID 62987889

Frequently Asked Questions

What is the IUPAC name of 6-amino-4-[(2,4-difluorophenyl)methyl]-1,4-benzoxazin-3-one?
The IUPAC name of 6-amino-4-[(2,4-difluorophenyl)methyl]-1,4-benzoxazin-3-one (CID 62197648) is 6-amino-4-[(2,4-difluorophenyl)methyl]-1,4-benzoxazin-3-one.
What is the SMILES notation for 6-amino-4-[(2,4-difluorophenyl)methyl]-1,4-benzoxazin-3-one?
The canonical SMILES for 6-amino-4-[(2,4-difluorophenyl)methyl]-1,4-benzoxazin-3-one is Nc1ccc2c(c1)N(Cc1ccc(F)cc1F)C(=O)CO2.
What is the InChIKey of 6-amino-4-[(2,4-difluorophenyl)methyl]-1,4-benzoxazin-3-one?
The InChIKey is SKFXZQRNXUTEKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N2O2/c16-10-2-1-9(12(17)5-10)7-19-13-6-11(18)3-4-14(13)21-8-15(19)20/h1-6H,7-8,18H2.
What are the key properties of 6-amino-4-[(2,4-difluorophenyl)methyl]-1,4-benzoxazin-3-one?
6-amino-4-[(2,4-difluorophenyl)methyl]-1,4-benzoxazin-3-one has a molecular weight of 290.27 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-[(2,4-difluorophenyl)methyl]-1,4-benzoxazin-3-one is sourced from PubChem (CID 62197648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).