2-(2-nitrophenyl)-N-(3-oxo-4H-1,4-benzoxazin-7-yl)acetamide

C16H13N3O5 — CID 110493138

IUPAC2-(2-nitrophenyl)-N-(3-oxo-4H-1,4-benzoxazin-7-yl)acetamide
SMILESO=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc2c(c1)OCC(=O)N2
InChIInChI=1S/C16H13N3O5/c20-15(7-10-3-1-2-4-13(10)19(22)23)17-11-5-6-12-14(8-11)24-9-16(21)18-12/h1-6,8H,7,9H2,(H,17,20)(H,18,21)
InChIKeyZFKFSFORJBJDGZ-UHFFFAOYSA-N
MW327.30 g/mol
LogP2.11
Rot. Bonds4

About 2-(2-nitrophenyl)-N-(3-oxo-4H-1,4-benzoxazin-7-yl)acetamide

2-(2-nitrophenyl)-N-(3-oxo-4H-1,4-benzoxazin-7-yl)acetamide (PubChem CID 110493138) has the molecular formula C16H13N3O5 and a molecular weight of 327.30 g/mol. Its IUPAC name is 2-(2-nitrophenyl)-N-(3-oxo-4H-1,4-benzoxazin-7-yl)acetamide.

Molecular Properties

Compound Name2-(2-nitrophenyl)-N-(3-oxo-4H-1,4-benzoxazin-7-yl)acetamide
PubChem CID110493138
Molecular FormulaC16H13N3O5
Molecular Weight327.30 g/mol
Exact Mass327.09
IUPAC Name2-(2-nitrophenyl)-N-(3-oxo-4H-1,4-benzoxazin-7-yl)acetamide
SMILESO=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc2c(c1)OCC(=O)N2
InChIInChI=1S/C16H13N3O5/c20-15(7-10-3-1-2-4-13(10)19(22)23)17-11-5-6-12-14(8-11)24-9-16(21)18-12/h1-6,8H,7,9H2,(H,17,20)(H,18,21)
InChIKeyZFKFSFORJBJDGZ-UHFFFAOYSA-N
XLogP2.11
TPSA110.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.30
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2-nitrophenyl)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)acetamide
CID 35874973
7-nitro-6-[(2-nitrophenyl)methylamino]-4H-1,4-benzoxazin-3-one
CID 133275047
(E)-3-(2-nitrophenyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)prop-2-enamide
CID 35530170
N-(3-oxo-4H-1,4-benzoxazin-7-yl)pyridine-2-carboxamide
CID 56587899
4-amino-N-(3-oxo-4H-1,4-benzoxazin-7-yl)butanamide;hydrochloride
CID 119279086
4-(methylamino)-N-(3-oxo-4H-1,4-benzoxazin-7-yl)butanamide
CID 119704209
7-[(2-methylphenyl)methylamino]-4H-1,4-benzoxazin-3-one
CID 82212135
N-(4-anilinophenyl)-2-(2-nitrophenyl)acetamide
CID 887556
2-(3-oxo-4H-1,4-benzoxazin-6-yl)-N-phenylacetamide
CID 110770297
N-(3-bromo-4-fluorophenyl)-2-(2-nitrophenyl)acetamide
CID 115661368
N-(3-chloro-4-methylphenyl)-2-(2-nitrophenyl)acetamide
CID 3384920
N-(3-oxo-4H-1,4-benzoxazin-7-yl)-2-[1-(pyrrol-1-ylmethyl)cyclohexyl]acetamide
CID 121239655

Frequently Asked Questions

What is the IUPAC name of 2-(2-nitrophenyl)-N-(3-oxo-4H-1,4-benzoxazin-7-yl)acetamide?
The IUPAC name of 2-(2-nitrophenyl)-N-(3-oxo-4H-1,4-benzoxazin-7-yl)acetamide (CID 110493138) is 2-(2-nitrophenyl)-N-(3-oxo-4H-1,4-benzoxazin-7-yl)acetamide.
What is the SMILES notation for 2-(2-nitrophenyl)-N-(3-oxo-4H-1,4-benzoxazin-7-yl)acetamide?
The canonical SMILES for 2-(2-nitrophenyl)-N-(3-oxo-4H-1,4-benzoxazin-7-yl)acetamide is O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc2c(c1)OCC(=O)N2.
What is the InChIKey of 2-(2-nitrophenyl)-N-(3-oxo-4H-1,4-benzoxazin-7-yl)acetamide?
The InChIKey is ZFKFSFORJBJDGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O5/c20-15(7-10-3-1-2-4-13(10)19(22)23)17-11-5-6-12-14(8-11)24-9-16(21)18-12/h1-6,8H,7,9H2,(H,17,20)(H,18,21).
What are the key properties of 2-(2-nitrophenyl)-N-(3-oxo-4H-1,4-benzoxazin-7-yl)acetamide?
2-(2-nitrophenyl)-N-(3-oxo-4H-1,4-benzoxazin-7-yl)acetamide has a molecular weight of 327.30 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-nitrophenyl)-N-(3-oxo-4H-1,4-benzoxazin-7-yl)acetamide is sourced from PubChem (CID 110493138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).