4-chloro-3-nitro-N-(3-oxo-4H-1,4-benzoxazin-6-yl)benzamide

C15H10ClN3O5 — CID 35529834

IUPAC4-chloro-3-nitro-N-(3-oxo-4H-1,4-benzoxazin-6-yl)benzamide
SMILESO=C1COc2ccc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2N1
InChIInChI=1S/C15H10ClN3O5/c16-10-3-1-8(5-12(10)19(22)23)15(21)17-9-2-4-13-11(6-9)18-14(20)7-24-13/h1-6H,7H2,(H,17,21)(H,18,20)
InChIKeyLNZTYNATSRLVKO-UHFFFAOYSA-N
MW347.71 g/mol
LogP2.83
Rot. Bonds3

About 4-chloro-3-nitro-N-(3-oxo-4H-1,4-benzoxazin-6-yl)benzamide

4-chloro-3-nitro-N-(3-oxo-4H-1,4-benzoxazin-6-yl)benzamide (PubChem CID 35529834) has the molecular formula C15H10ClN3O5 and a molecular weight of 347.71 g/mol. Its IUPAC name is 4-chloro-3-nitro-N-(3-oxo-4H-1,4-benzoxazin-6-yl)benzamide.

Molecular Properties

Compound Name4-chloro-3-nitro-N-(3-oxo-4H-1,4-benzoxazin-6-yl)benzamide
PubChem CID35529834
Molecular FormulaC15H10ClN3O5
Molecular Weight347.71 g/mol
Exact Mass347.03
IUPAC Name4-chloro-3-nitro-N-(3-oxo-4H-1,4-benzoxazin-6-yl)benzamide
SMILESO=C1COc2ccc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2N1
InChIInChI=1S/C15H10ClN3O5/c16-10-3-1-8(5-12(10)19(22)23)15(21)17-9-2-4-13-11(6-9)18-14(20)7-24-13/h1-6H,7H2,(H,17,21)(H,18,20)
InChIKeyLNZTYNATSRLVKO-UHFFFAOYSA-N
XLogP2.83
TPSA110.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.71
LogP ≤ 52.83
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

3-methyl-4-nitro-N-(3-oxo-4H-1,4-benzoxazin-6-yl)benzamide
CID 34040603
4-chloro-N-[4-[(4-chloro-3-nitrobenzoyl)amino]phenyl]-3-nitrobenzamide
CID 3385281
3-oxo-N-phenyl-4H-1,4-benzoxazine-6-carboxamide
CID 17429970
3-hydroxy-N-(3-oxo-4H-1,4-benzoxazin-6-yl)benzamide
CID 145472125
N-(4-acetylphenyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 110763806
2-chloro-4-nitro-N-[2-[(3-oxo-4H-1,4-benzoxazin-6-yl)carbamoyl]phenyl]benzamide
CID 24674094
3-chloro-4-nitro-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)benzamide
CID 154751414
(E)-3-(2-nitrophenyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)prop-2-enamide
CID 35530170
3-(dimethylamino)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)benzamide
CID 51153492
3-chloro-N-(4-chloro-3-nitrophenyl)-4-iodobenzamide
CID 103221361
4-(cyclopropylsulfamoyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)benzamide
CID 55379171
4-chloro-N-[4-(dimethylamino)phenyl]-3-nitrobenzamide
CID 874387

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-nitro-N-(3-oxo-4H-1,4-benzoxazin-6-yl)benzamide?
The IUPAC name of 4-chloro-3-nitro-N-(3-oxo-4H-1,4-benzoxazin-6-yl)benzamide (CID 35529834) is 4-chloro-3-nitro-N-(3-oxo-4H-1,4-benzoxazin-6-yl)benzamide.
What is the SMILES notation for 4-chloro-3-nitro-N-(3-oxo-4H-1,4-benzoxazin-6-yl)benzamide?
The canonical SMILES for 4-chloro-3-nitro-N-(3-oxo-4H-1,4-benzoxazin-6-yl)benzamide is O=C1COc2ccc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2N1.
What is the InChIKey of 4-chloro-3-nitro-N-(3-oxo-4H-1,4-benzoxazin-6-yl)benzamide?
The InChIKey is LNZTYNATSRLVKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClN3O5/c16-10-3-1-8(5-12(10)19(22)23)15(21)17-9-2-4-13-11(6-9)18-14(20)7-24-13/h1-6H,7H2,(H,17,21)(H,18,20).
What are the key properties of 4-chloro-3-nitro-N-(3-oxo-4H-1,4-benzoxazin-6-yl)benzamide?
4-chloro-3-nitro-N-(3-oxo-4H-1,4-benzoxazin-6-yl)benzamide has a molecular weight of 347.71 g/mol, XLogP of 2.83, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-nitro-N-(3-oxo-4H-1,4-benzoxazin-6-yl)benzamide is sourced from PubChem (CID 35529834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).