N-(4-bromo-2-fluorophenyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide

C15H10BrFN2O3 — CID 17394634

IUPACN-(4-bromo-2-fluorophenyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide
SMILESO=C1COc2ccc(C(=O)Nc3ccc(Br)cc3F)cc2N1
InChIInChI=1S/C15H10BrFN2O3/c16-9-2-3-11(10(17)6-9)19-15(21)8-1-4-13-12(5-8)18-14(20)7-22-13/h1-6H,7H2,(H,18,20)(H,19,21)
InChIKeyLAKWBWKHZVYQCV-UHFFFAOYSA-N
MW365.16 g/mol
LogP3.17
Rot. Bonds2

About N-(4-bromo-2-fluorophenyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide

N-(4-bromo-2-fluorophenyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide (PubChem CID 17394634) has the molecular formula C15H10BrFN2O3 and a molecular weight of 365.16 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide
PubChem CID17394634
Molecular FormulaC15H10BrFN2O3
Molecular Weight365.16 g/mol
Exact Mass363.99
IUPAC NameN-(4-bromo-2-fluorophenyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide
SMILESO=C1COc2ccc(C(=O)Nc3ccc(Br)cc3F)cc2N1
InChIInChI=1S/C15H10BrFN2O3/c16-9-2-3-11(10(17)6-9)19-15(21)8-1-4-13-12(5-8)18-14(20)7-22-13/h1-6H,7H2,(H,18,20)(H,19,21)
InChIKeyLAKWBWKHZVYQCV-UHFFFAOYSA-N
XLogP3.17
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.16
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromophenyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 110763814
3-oxo-N-phenyl-4H-1,4-benzoxazine-6-carboxamide
CID 17429970
N-[2-(dimethylamino)phenyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 86929686
N-(4-acetamidophenyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 53023831
3-oxo-N-pyridin-4-yl-4H-1,4-benzoxazine-6-carboxamide
CID 53023811
6-(2,4-dibromobenzoyl)-4H-1,4-benzoxazin-3-one
CID 107949715
N-(4-bromo-2-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 49156312
N-(4-bromo-2-fluorophenyl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103997721
N-(2-methoxyethyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 83274535
6-(3,5-difluorobenzoyl)-4H-1,4-benzoxazin-3-one
CID 43339523
6-(3-bromopropanoyl)-4H-1,4-benzoxazin-3-one
CID 82136356
N-[2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 166190861

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide (CID 17394634) is N-(4-bromo-2-fluorophenyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide is O=C1COc2ccc(C(=O)Nc3ccc(Br)cc3F)cc2N1.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide?
The InChIKey is LAKWBWKHZVYQCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrFN2O3/c16-9-2-3-11(10(17)6-9)19-15(21)8-1-4-13-12(5-8)18-14(20)7-22-13/h1-6H,7H2,(H,18,20)(H,19,21).
What are the key properties of N-(4-bromo-2-fluorophenyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide?
N-(4-bromo-2-fluorophenyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide has a molecular weight of 365.16 g/mol, XLogP of 3.17, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide is sourced from PubChem (CID 17394634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).