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

C17H14N2O4 — CID 110763806

IUPACN-(4-acetylphenyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2ccc3c(c2)NC(=O)CO3)cc1
InChIInChI=1S/C17H14N2O4/c1-10(20)11-2-5-13(6-3-11)18-17(22)12-4-7-15-14(8-12)19-16(21)9-23-15/h2-8H,9H2,1H3,(H,18,22)(H,19,21)
InChIKeyCZWHUZSZTISYMB-UHFFFAOYSA-N
MW310.31 g/mol
LogP2.47
Rot. Bonds3

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

N-(4-acetylphenyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide (PubChem CID 110763806) has the molecular formula C17H14N2O4 and a molecular weight of 310.31 g/mol. Its IUPAC name is N-(4-acetylphenyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide
PubChem CID110763806
Molecular FormulaC17H14N2O4
Molecular Weight310.31 g/mol
Exact Mass310.10
IUPAC NameN-(4-acetylphenyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2ccc3c(c2)NC(=O)CO3)cc1
InChIInChI=1S/C17H14N2O4/c1-10(20)11-2-5-13(6-3-11)18-17(22)12-4-7-15-14(8-12)19-16(21)9-23-15/h2-8H,9H2,1H3,(H,18,22)(H,19,21)
InChIKeyCZWHUZSZTISYMB-UHFFFAOYSA-N
XLogP2.47
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetamidophenyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 53023831
3-oxo-N-phenyl-4H-1,4-benzoxazine-6-carboxamide
CID 17429970
3-oxo-N-pyridin-4-yl-4H-1,4-benzoxazine-6-carboxamide
CID 53023811
N-[4-(furan-2-carbonylamino)phenyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 55504919
N-(6-methoxy-3-pyridinyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 17455965
3-hydroxy-N-(3-oxo-4H-1,4-benzoxazin-6-yl)benzamide
CID 145472125
3-(dimethylamino)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)benzamide
CID 51153492
3-methyl-4-nitro-N-(3-oxo-4H-1,4-benzoxazin-6-yl)benzamide
CID 34040603
N-[4-(methanesulfonamido)-3-methoxyphenyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 55618967
N-(4-fluorophenyl)-4-oxo-3,5-dihydro-2H-1,5-benzoxazepine-7-carboxamide
CID 110764030
N-[2-(dimethylamino)phenyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 86929686
N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 17462651

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide (CID 110763806) is N-(4-acetylphenyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide is CC(=O)c1ccc(NC(=O)c2ccc3c(c2)NC(=O)CO3)cc1.
What is the InChIKey of N-(4-acetylphenyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide?
The InChIKey is CZWHUZSZTISYMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O4/c1-10(20)11-2-5-13(6-3-11)18-17(22)12-4-7-15-14(8-12)19-16(21)9-23-15/h2-8H,9H2,1H3,(H,18,22)(H,19,21).
What are the key properties of N-(4-acetylphenyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide?
N-(4-acetylphenyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide has a molecular weight of 310.31 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide is sourced from PubChem (CID 110763806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).