2-chloro-N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]benzamide

C15H9ClN4O4 — CID 4986115

IUPAC2-chloro-N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]benzamide
SMILESO=C(/N=N/c1c(O)[nH]c2ccc([N+](=O)[O-])cc12)c1ccccc1Cl
InChIInChI=1S/C15H9ClN4O4/c16-11-4-2-1-3-9(11)14(21)19-18-13-10-7-8(20(23)24)5-6-12(10)17-15(13)22/h1-7,17,22H/b19-18+
InChIKeyWQWLFQYLWHIPHJ-VHEBQXMUSA-N
MW344.71 g/mol
LogP4.36
Rot. Bonds3

About 2-chloro-N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]benzamide

2-chloro-N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]benzamide (PubChem CID 4986115) has the molecular formula C15H9ClN4O4 and a molecular weight of 344.71 g/mol. Its IUPAC name is 2-chloro-N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]benzamide.

Molecular Properties

Compound Name2-chloro-N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]benzamide
PubChem CID4986115
Molecular FormulaC15H9ClN4O4
Molecular Weight344.71 g/mol
Exact Mass344.03
IUPAC Name2-chloro-N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]benzamide
SMILESO=C(/N=N/c1c(O)[nH]c2ccc([N+](=O)[O-])cc12)c1ccccc1Cl
InChIInChI=1S/C15H9ClN4O4/c16-11-4-2-1-3-9(11)14(21)19-18-13-10-7-8(20(23)24)5-6-12(10)17-15(13)22/h1-7,17,22H/b19-18+
InChIKeyWQWLFQYLWHIPHJ-VHEBQXMUSA-N
XLogP4.36
TPSA120.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.71
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', '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

(E)-N'-(5-nitro-2-oxoindolin-3-ylidene)hexanehydrazide
CID 3789101
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
N-[(4-chloro-2-hydroxy-1H-indol-3-yl)imino]-3-(4-hydroxyphenyl)propanamide
CID 136086945
N-[(4-chloro-2-hydroxy-1H-indol-3-yl)imino]-2-(4-hydroxyphenyl)acetamide
CID 136086961
N-hydroxy-4-((3-(hydroxyimino)-5-nitro-2-oxoindolin-1-yl)methyl)benzamide (6h)
CID 137224538
(E)-N'-(5-nitro-2-oxoindolin-3-ylidene)heptanehydrazide
CID 3625305
2-methoxy-N'-[(3Z)-5-nitro-2-oxo-1,2-dihydro-3H-indol-3-ylidene]benzohydrazide
CID 3758559
2-[2-(5-Nitro-2-oxoindol-3-yl)hydrazinyl]benzoic acid
CID 4041261
4-Bromo-N-({N'-[(3E)-5-nitro-2-oxo-2,3-dihydro-1H-indol-3-ylidene]hydrazinecarbonyl}methyl)benzamide
CID 4423327
4-[2-(6-Chloro-2-oxoindol-3-yl)hydrazinyl]benzoic acid
CID 4652735
2-(2-chlorophenyl)-N'-(5-nitro-2-oxo-3-indolyl)-4-quinolinecarbohydrazide
CID 5145081

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]benzamide?
The IUPAC name of 2-chloro-N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]benzamide (CID 4986115) is 2-chloro-N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]benzamide.
What is the SMILES notation for 2-chloro-N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]benzamide?
The canonical SMILES for 2-chloro-N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]benzamide is O=C(/N=N/c1c(O)[nH]c2ccc([N+](=O)[O-])cc12)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]benzamide?
The InChIKey is WQWLFQYLWHIPHJ-VHEBQXMUSA-N. The full InChI is InChI=1S/C15H9ClN4O4/c16-11-4-2-1-3-9(11)14(21)19-18-13-10-7-8(20(23)24)5-6-12(10)17-15(13)22/h1-7,17,22H/b19-18+.
What are the key properties of 2-chloro-N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]benzamide?
2-chloro-N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]benzamide has a molecular weight of 344.71 g/mol, XLogP of 4.36, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]benzamide is sourced from PubChem (CID 4986115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).