N-(2,6-difluorophenyl)-4-methyl-3-oxo-1,4-benzoxazine-6-carboxamide

C16H12F2N2O3 — CID 110763933

IUPACN-(2,6-difluorophenyl)-4-methyl-3-oxo-1,4-benzoxazine-6-carboxamide
SMILESCN1C(=O)COc2ccc(C(=O)Nc3c(F)cccc3F)cc21
InChIInChI=1S/C16H12F2N2O3/c1-20-12-7-9(5-6-13(12)23-8-14(20)21)16(22)19-15-10(17)3-2-4-11(15)18/h2-7H,8H2,1H3,(H,19,22)
InChIKeyACBQOPFKLPONBD-UHFFFAOYSA-N
MW318.28 g/mol
LogP2.57
Rot. Bonds2

About N-(2,6-difluorophenyl)-4-methyl-3-oxo-1,4-benzoxazine-6-carboxamide

N-(2,6-difluorophenyl)-4-methyl-3-oxo-1,4-benzoxazine-6-carboxamide (PubChem CID 110763933) has the molecular formula C16H12F2N2O3 and a molecular weight of 318.28 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-4-methyl-3-oxo-1,4-benzoxazine-6-carboxamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-4-methyl-3-oxo-1,4-benzoxazine-6-carboxamide
PubChem CID110763933
Molecular FormulaC16H12F2N2O3
Molecular Weight318.28 g/mol
Exact Mass318.08
IUPAC NameN-(2,6-difluorophenyl)-4-methyl-3-oxo-1,4-benzoxazine-6-carboxamide
SMILESCN1C(=O)COc2ccc(C(=O)Nc3c(F)cccc3F)cc21
InChIInChI=1S/C16H12F2N2O3/c1-20-12-7-9(5-6-13(12)23-8-14(20)21)16(22)19-15-10(17)3-2-4-11(15)18/h2-7H,8H2,1H3,(H,19,22)
InChIKeyACBQOPFKLPONBD-UHFFFAOYSA-N
XLogP2.57
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.28
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetylphenyl)-4-methyl-3-oxo-1,4-benzoxazine-6-carboxamide
CID 110763910
methyl 3-[(4-methyl-3-oxo-1,4-benzoxazine-6-carbonyl)amino]benzoate
CID 110763913
4-methyl-3-oxo-N-pyridin-2-yl-1,4-benzoxazine-6-carboxamide
CID 110763923
N-[2-(4-fluorophenyl)ethyl]-4-methyl-3-oxo-1,4-benzoxazine-6-carboxamide
CID 110763854
4-methyl-3-oxo-1,4-benzoxazine-6-carboxamide
CID 82492126
N-(3-chloro-4-methylphenyl)-4-methyl-3-oxo-1,4-benzoxazine-6-carboxamide
CID 110763897
4-methyl-N-(2-morpholin-4-ylethyl)-3-oxo-1,4-benzoxazine-6-carboxamide
CID 110763836
3-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-3-oxopropanoic acid
CID 116917982
N-(2-methoxy-5-methylphenyl)-4-methyl-3-oxo-1,4-benzoxazine-6-carboxamide
CID 46286910
N-(4-hydroxy-3-methoxyphenyl)-4-methyl-3-oxo-1,4-benzoxazine-6-carboxamide
CID 131934697
4-methyl-3-oxo-1,4-benzoxazine-6-carbonyl cyanide
CID 116918990
4-[1-(2,6-difluorophenyl)ethyl]-N-hydroxy-3-oxo-1,4-benzoxazine-6-carboxamide
CID 126646044

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-4-methyl-3-oxo-1,4-benzoxazine-6-carboxamide?
The IUPAC name of N-(2,6-difluorophenyl)-4-methyl-3-oxo-1,4-benzoxazine-6-carboxamide (CID 110763933) is N-(2,6-difluorophenyl)-4-methyl-3-oxo-1,4-benzoxazine-6-carboxamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-4-methyl-3-oxo-1,4-benzoxazine-6-carboxamide?
The canonical SMILES for N-(2,6-difluorophenyl)-4-methyl-3-oxo-1,4-benzoxazine-6-carboxamide is CN1C(=O)COc2ccc(C(=O)Nc3c(F)cccc3F)cc21.
What is the InChIKey of N-(2,6-difluorophenyl)-4-methyl-3-oxo-1,4-benzoxazine-6-carboxamide?
The InChIKey is ACBQOPFKLPONBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N2O3/c1-20-12-7-9(5-6-13(12)23-8-14(20)21)16(22)19-15-10(17)3-2-4-11(15)18/h2-7H,8H2,1H3,(H,19,22).
What are the key properties of N-(2,6-difluorophenyl)-4-methyl-3-oxo-1,4-benzoxazine-6-carboxamide?
N-(2,6-difluorophenyl)-4-methyl-3-oxo-1,4-benzoxazine-6-carboxamide has a molecular weight of 318.28 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-4-methyl-3-oxo-1,4-benzoxazine-6-carboxamide is sourced from PubChem (CID 110763933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).