N-hydroxy-4-[(2-hydroxy-5-nitro-3-nitrosoindol-1-yl)methyl]benzamide

C16H12N4O6 — CID 137224538

IUPACN-hydroxy-4-[(2-hydroxy-5-nitro-3-nitrosoindol-1-yl)methyl]benzamide
SMILESO=Nc1c(O)n(Cc2ccc(C(=O)NO)cc2)c2ccc([N+](=O)[O-])cc12
InChIInChI=1S/C16H12N4O6/c21-15(18-24)10-3-1-9(2-4-10)8-19-13-6-5-11(20(25)26)7-12(13)14(17-23)16(19)22/h1-7,22,24H,8H2,(H,18,21)
InChIKeyYPRSQQLXGQCSSF-UHFFFAOYSA-N
MW356.29 g/mol
LogP2.82
Rot. Bonds5

About N-hydroxy-4-[(2-hydroxy-5-nitro-3-nitrosoindol-1-yl)methyl]benzamide

N-hydroxy-4-[(2-hydroxy-5-nitro-3-nitrosoindol-1-yl)methyl]benzamide (PubChem CID 137224538) has the molecular formula C16H12N4O6 and a molecular weight of 356.29 g/mol. Its IUPAC name is N-hydroxy-4-[(2-hydroxy-5-nitro-3-nitrosoindol-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-hydroxy-4-[(2-hydroxy-5-nitro-3-nitrosoindol-1-yl)methyl]benzamide
PubChem CID137224538
Molecular FormulaC16H12N4O6
Molecular Weight356.29 g/mol
Exact Mass356.08
IUPAC NameN-hydroxy-4-[(2-hydroxy-5-nitro-3-nitrosoindol-1-yl)methyl]benzamide
SMILESO=Nc1c(O)n(Cc2ccc(C(=O)NO)cc2)c2ccc([N+](=O)[O-])cc12
InChIInChI=1S/C16H12N4O6/c21-15(18-24)10-3-1-9(2-4-10)8-19-13-6-5-11(20(25)26)7-12(13)14(17-23)16(19)22/h1-7,22,24H,8H2,(H,18,21)
InChIKeyYPRSQQLXGQCSSF-UHFFFAOYSA-N
XLogP2.82
TPSA147.06 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.29
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N'-(1-Hexyl-2-oxoindolin-3-ylidene)benzohydrazide
CID 135743701
Bzo-poxizid
CID 2691386
Bzo-chmoxizid
CID 135881485
4-((5-Fluoro-3-(hydroxyimino)-2-oxoindolin-1-yl)methyl)-N-hydroxybenzamide (6b)
CID 137224532
N-(1-Methyl-2-oxo-1,2-dihydro-indol-3-ylidene-hydrazinocarbonylmethyl)-benzamide
CID 821643
N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]-2-nitrobenzamide
CID 3718757
2-[(2-methylphenyl)amino]-N'-[(3Z)-5-nitro-2-oxo-1,2-dihydro-3H-indol-3-ylidene]acetohydrazide (non-preferred name)
CID 3822490
2-chloro-N'-(5-nitro-2-oxo-3-indolyl)benzohydrazide
CID 4986115
N'-[(3Z)-1-(1-Butyl)-2-oxo-1,2-dihydro-3H-indol-3-ylidene]benzohydrazide
CID 1581054
N'-[(3E)-1-Benzyl-2-oxo-2,3-dihydro-1H-indol-3-ylidene]benzohydrazide
CID 1626958
1-(4-methylbenzyl)-1H-indole-2,3-dione 3-oxime
CID 2766806
(Z)-N'-(2-oxo-1-propylindolin-3-ylidene)benzohydrazide
CID 5030390

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[(2-hydroxy-5-nitro-3-nitrosoindol-1-yl)methyl]benzamide?
The IUPAC name of N-hydroxy-4-[(2-hydroxy-5-nitro-3-nitrosoindol-1-yl)methyl]benzamide (CID 137224538) is N-hydroxy-4-[(2-hydroxy-5-nitro-3-nitrosoindol-1-yl)methyl]benzamide.
What is the SMILES notation for N-hydroxy-4-[(2-hydroxy-5-nitro-3-nitrosoindol-1-yl)methyl]benzamide?
The canonical SMILES for N-hydroxy-4-[(2-hydroxy-5-nitro-3-nitrosoindol-1-yl)methyl]benzamide is O=Nc1c(O)n(Cc2ccc(C(=O)NO)cc2)c2ccc([N+](=O)[O-])cc12.
What is the InChIKey of N-hydroxy-4-[(2-hydroxy-5-nitro-3-nitrosoindol-1-yl)methyl]benzamide?
The InChIKey is YPRSQQLXGQCSSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O6/c21-15(18-24)10-3-1-9(2-4-10)8-19-13-6-5-11(20(25)26)7-12(13)14(17-23)16(19)22/h1-7,22,24H,8H2,(H,18,21).
What are the key properties of N-hydroxy-4-[(2-hydroxy-5-nitro-3-nitrosoindol-1-yl)methyl]benzamide?
N-hydroxy-4-[(2-hydroxy-5-nitro-3-nitrosoindol-1-yl)methyl]benzamide has a molecular weight of 356.29 g/mol, XLogP of 2.82, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[(2-hydroxy-5-nitro-3-nitrosoindol-1-yl)methyl]benzamide is sourced from PubChem (CID 137224538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).