4-nitro-N'-[(1R)-3-oxo-1H-2-benzofuran-1-yl]benzohydrazide

C15H11N3O5 — CID 5390607

IUPAC4-nitro-N'-[(1R)-3-oxo-1H-2-benzofuran-1-yl]benzohydrazide
SMILESO=C(NN[C@@H]1OC(=O)c2ccccc21)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H11N3O5/c19-13(9-5-7-10(8-6-9)18(21)22)16-17-14-11-3-1-2-4-12(11)15(20)23-14/h1-8,14,17H,(H,16,19)/t14-/m1/s1
InChIKeyOXCWAOIUBWRKIS-CQSZACIVSA-N
MW313.27 g/mol
LogP1.70
Rot. Bonds4

About 4-nitro-N'-[(1R)-3-oxo-1H-2-benzofuran-1-yl]benzohydrazide

4-nitro-N'-[(1R)-3-oxo-1H-2-benzofuran-1-yl]benzohydrazide (PubChem CID 5390607) has the molecular formula C15H11N3O5 and a molecular weight of 313.27 g/mol. Its IUPAC name is 4-nitro-N'-[(1R)-3-oxo-1H-2-benzofuran-1-yl]benzohydrazide.

Molecular Properties

Compound Name4-nitro-N'-[(1R)-3-oxo-1H-2-benzofuran-1-yl]benzohydrazide
PubChem CID5390607
Molecular FormulaC15H11N3O5
Molecular Weight313.27 g/mol
Exact Mass313.07
IUPAC Name4-nitro-N'-[(1R)-3-oxo-1H-2-benzofuran-1-yl]benzohydrazide
SMILESO=C(NN[C@@H]1OC(=O)c2ccccc21)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H11N3O5/c19-13(9-5-7-10(8-6-9)18(21)22)16-17-14-11-3-1-2-4-12(11)15(20)23-14/h1-8,14,17H,(H,16,19)/t14-/m1/s1
InChIKeyOXCWAOIUBWRKIS-CQSZACIVSA-N
XLogP1.70
TPSA110.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.27
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

N'-[(1S)-3-oxo-1H-2-benzofuran-1-yl]pyridine-4-carbohydrazide
CID 7714424
(3S)-3-(4-nitroanilino)-3H-2-benzofuran-1-one
CID 7460415
3-[2-(4-nitrophenyl)-2-oxoethyl]-3H-2-benzofuran-1-one
CID 2731394
3-(2-fluoro-5-nitroanilino)-3H-2-benzofuran-1-one
CID 45029840
1-[(3-oxo-1H-2-benzofuran-1-yl)amino]-3-phenylthiourea
CID 4766516
2-methyl-N'-(4-nitrobenzoyl)benzohydrazide
CID 3762572
4-nitro-N'-[(1S,2R)-2-phenylcyclopropanecarbonyl]benzohydrazide
CID 6938443
N'-[(E)-1-(4-nitrophenyl)-3-oxobut-1-enyl]benzohydrazide
CID 56697368
(4R,5S)-4-(4-nitrobenzoyl)-5-[(2S,3S)-3-(4-nitrobenzoyl)-4,5-dioxooxolan-2-yl]oxolane-2,3-dione
CID 98546550
N-benzhydryl-4-nitrobenzamide
CID 676068
N-(9,10-dioxoanthracen-2-yl)-4-nitrobenzamide
CID 3422751
4-nitro-N-trimethylsilylbenzamide
CID 12726300

Frequently Asked Questions

What is the IUPAC name of 4-nitro-N'-[(1R)-3-oxo-1H-2-benzofuran-1-yl]benzohydrazide?
The IUPAC name of 4-nitro-N'-[(1R)-3-oxo-1H-2-benzofuran-1-yl]benzohydrazide (CID 5390607) is 4-nitro-N'-[(1R)-3-oxo-1H-2-benzofuran-1-yl]benzohydrazide.
What is the SMILES notation for 4-nitro-N'-[(1R)-3-oxo-1H-2-benzofuran-1-yl]benzohydrazide?
The canonical SMILES for 4-nitro-N'-[(1R)-3-oxo-1H-2-benzofuran-1-yl]benzohydrazide is O=C(NN[C@@H]1OC(=O)c2ccccc21)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 4-nitro-N'-[(1R)-3-oxo-1H-2-benzofuran-1-yl]benzohydrazide?
The InChIKey is OXCWAOIUBWRKIS-CQSZACIVSA-N. The full InChI is InChI=1S/C15H11N3O5/c19-13(9-5-7-10(8-6-9)18(21)22)16-17-14-11-3-1-2-4-12(11)15(20)23-14/h1-8,14,17H,(H,16,19)/t14-/m1/s1.
What are the key properties of 4-nitro-N'-[(1R)-3-oxo-1H-2-benzofuran-1-yl]benzohydrazide?
4-nitro-N'-[(1R)-3-oxo-1H-2-benzofuran-1-yl]benzohydrazide has a molecular weight of 313.27 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-N'-[(1R)-3-oxo-1H-2-benzofuran-1-yl]benzohydrazide is sourced from PubChem (CID 5390607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).