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

C15H11BrN2O3 — CID 110763814

IUPACN-(2-bromophenyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide
SMILESO=C1COc2ccc(C(=O)Nc3ccccc3Br)cc2N1
InChIInChI=1S/C15H11BrN2O3/c16-10-3-1-2-4-11(10)18-15(20)9-5-6-13-12(7-9)17-14(19)8-21-13/h1-7H,8H2,(H,17,19)(H,18,20)
InChIKeyZSTDJFFASWRNDE-UHFFFAOYSA-N
MW347.17 g/mol
LogP3.03
Rot. Bonds2

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

N-(2-bromophenyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide (PubChem CID 110763814) has the molecular formula C15H11BrN2O3 and a molecular weight of 347.17 g/mol. Its IUPAC name is N-(2-bromophenyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide
PubChem CID110763814
Molecular FormulaC15H11BrN2O3
Molecular Weight347.17 g/mol
Exact Mass346.00
IUPAC NameN-(2-bromophenyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide
SMILESO=C1COc2ccc(C(=O)Nc3ccccc3Br)cc2N1
InChIInChI=1S/C15H11BrN2O3/c16-10-3-1-2-4-11(10)18-15(20)9-5-6-13-12(7-9)17-14(19)8-21-13/h1-7H,8H2,(H,17,19)(H,18,20)
InChIKeyZSTDJFFASWRNDE-UHFFFAOYSA-N
XLogP3.03
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.17
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(dimethylamino)phenyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 86929686
3-oxo-N-phenyl-4H-1,4-benzoxazine-6-carboxamide
CID 17429970
N-(4-bromo-2-fluorophenyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 17394634
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
N-(4-acetylphenyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 110763806
N-[2-[(4-chlorobenzoyl)amino]phenyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide
CID 31966312
3-hydroxy-N-(3-oxo-4H-1,4-benzoxazin-6-yl)benzamide
CID 145472125
N-[4-(furan-2-carbonylamino)phenyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 55504919
3-oxo-N-[(1S)-1-phenylethyl]-4H-1,4-benzoxazine-6-carboxamide
CID 59802754
3-bromo-N-(3-oxo-4H-1,4-benzoxazin-6-yl)pyridine-2-carboxamide
CID 107518741
N-(2-ethyl-6-methylphenyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 17417944

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide?
The IUPAC name of N-(2-bromophenyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide (CID 110763814) is N-(2-bromophenyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide.
What is the SMILES notation for N-(2-bromophenyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide?
The canonical SMILES for N-(2-bromophenyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide is O=C1COc2ccc(C(=O)Nc3ccccc3Br)cc2N1.
What is the InChIKey of N-(2-bromophenyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide?
The InChIKey is ZSTDJFFASWRNDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2O3/c16-10-3-1-2-4-11(10)18-15(20)9-5-6-13-12(7-9)17-14(19)8-21-13/h1-7H,8H2,(H,17,19)(H,18,20).
What are the key properties of N-(2-bromophenyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide?
N-(2-bromophenyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide has a molecular weight of 347.17 g/mol, XLogP of 3.03, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide is sourced from PubChem (CID 110763814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).