N-(4-fluorophenyl)-4-methyl-3-oxo-1,4-benzoxazine-8-carboxamide

C16H13FN2O3 — CID 110701760

IUPACN-(4-fluorophenyl)-4-methyl-3-oxo-1,4-benzoxazine-8-carboxamide
SMILESCN1C(=O)COc2c(C(=O)Nc3ccc(F)cc3)cccc21
InChIInChI=1S/C16H13FN2O3/c1-19-13-4-2-3-12(15(13)22-9-14(19)20)16(21)18-11-7-5-10(17)6-8-11/h2-8H,9H2,1H3,(H,18,21)
InChIKeyPGGQCMWEEOXFQV-UHFFFAOYSA-N
MW300.29 g/mol
LogP2.43
Rot. Bonds2

About N-(4-fluorophenyl)-4-methyl-3-oxo-1,4-benzoxazine-8-carboxamide

N-(4-fluorophenyl)-4-methyl-3-oxo-1,4-benzoxazine-8-carboxamide (PubChem CID 110701760) has the molecular formula C16H13FN2O3 and a molecular weight of 300.29 g/mol. Its IUPAC name is N-(4-fluorophenyl)-4-methyl-3-oxo-1,4-benzoxazine-8-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-4-methyl-3-oxo-1,4-benzoxazine-8-carboxamide
PubChem CID110701760
Molecular FormulaC16H13FN2O3
Molecular Weight300.29 g/mol
Exact Mass300.09
IUPAC NameN-(4-fluorophenyl)-4-methyl-3-oxo-1,4-benzoxazine-8-carboxamide
SMILESCN1C(=O)COc2c(C(=O)Nc3ccc(F)cc3)cccc21
InChIInChI=1S/C16H13FN2O3/c1-19-13-4-2-3-12(15(13)22-9-14(19)20)16(21)18-11-7-5-10(17)6-8-11/h2-8H,9H2,1H3,(H,18,21)
InChIKeyPGGQCMWEEOXFQV-UHFFFAOYSA-N
XLogP2.43
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.29
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-4-methyl-3-oxo-1,4-benzoxazine-8-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-4-methyl-3-oxo-1,4-benzoxazine-8-carboxamide (CID 110701760) is N-(4-fluorophenyl)-4-methyl-3-oxo-1,4-benzoxazine-8-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-4-methyl-3-oxo-1,4-benzoxazine-8-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-4-methyl-3-oxo-1,4-benzoxazine-8-carboxamide is CN1C(=O)COc2c(C(=O)Nc3ccc(F)cc3)cccc21.
What is the InChIKey of N-(4-fluorophenyl)-4-methyl-3-oxo-1,4-benzoxazine-8-carboxamide?
The InChIKey is PGGQCMWEEOXFQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O3/c1-19-13-4-2-3-12(15(13)22-9-14(19)20)16(21)18-11-7-5-10(17)6-8-11/h2-8H,9H2,1H3,(H,18,21).
What are the key properties of N-(4-fluorophenyl)-4-methyl-3-oxo-1,4-benzoxazine-8-carboxamide?
N-(4-fluorophenyl)-4-methyl-3-oxo-1,4-benzoxazine-8-carboxamide has a molecular weight of 300.29 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-4-methyl-3-oxo-1,4-benzoxazine-8-carboxamide is sourced from PubChem (CID 110701760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).