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

C17H15ClN4O2 — CID 135982620

IUPACN-[(5-chloro-2-hydroxy-1H-indol-3-yl)imino]-3-(dimethylamino)benzamide
SMILESCN(C)c1cccc(C(=O)/N=N/c2c(O)[nH]c3ccc(Cl)cc23)c1
InChIInChI=1S/C17H15ClN4O2/c1-22(2)12-5-3-4-10(8-12)16(23)21-20-15-13-9-11(18)6-7-14(13)19-17(15)24/h3-9,19,24H,1-2H3/b21-20+
InChIKeyZIIJPQIZBXIBSK-QZQOTICOSA-N
MW342.79 g/mol
LogP4.52
Rot. Bonds3

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

N-[(5-chloro-2-hydroxy-1H-indol-3-yl)imino]-3-(dimethylamino)benzamide (PubChem CID 135982620) has the molecular formula C17H15ClN4O2 and a molecular weight of 342.79 g/mol. Its IUPAC name is N-[(5-chloro-2-hydroxy-1H-indol-3-yl)imino]-3-(dimethylamino)benzamide.

Molecular Properties

Compound NameN-[(5-chloro-2-hydroxy-1H-indol-3-yl)imino]-3-(dimethylamino)benzamide
PubChem CID135982620
Molecular FormulaC17H15ClN4O2
Molecular Weight342.79 g/mol
Exact Mass342.09
IUPAC NameN-[(5-chloro-2-hydroxy-1H-indol-3-yl)imino]-3-(dimethylamino)benzamide
SMILESCN(C)c1cccc(C(=O)/N=N/c2c(O)[nH]c3ccc(Cl)cc23)c1
InChIInChI=1S/C17H15ClN4O2/c1-22(2)12-5-3-4-10(8-12)16(23)21-20-15-13-9-11(18)6-7-14(13)19-17(15)24/h3-9,19,24H,1-2H3/b21-20+
InChIKeyZIIJPQIZBXIBSK-QZQOTICOSA-N
XLogP4.52
TPSA81.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.79
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]benzamide
CID 135784571
N-[(5-chloro-2-hydroxy-1H-indol-3-yl)imino]-2-(4-chlorophenyl)-3H-benzimidazole-5-carboxamide
CID 172646016
3-(dimethylsulfamoyl)-N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]benzamide
CID 135576182
3-bromo-N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]benzamide
CID 1034759
4-chloro-N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]benzamide
CID 5156367
N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-3-hydroxybenzamide
CID 1381490
N-[(2-hydroxy-1H-indol-3-yl)imino]-3-methylbenzamide
CID 749780
N,N'-bis[(5-chloro-2-hydroxy-1H-indol-3-yl)imino]decanediamide
CID 4631655
N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]-3-methylbenzamide
CID 3870793
3-bromo-N-[(2-hydroxy-1H-indol-3-yl)imino]benzamide
CID 749764
2-(4-chlorophenyl)-N-[(2-hydroxy-5-methoxy-1H-indol-3-yl)imino]-3H-benzimidazole-5-carboxamide
CID 172994435
2-chloro-N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]benzamide
CID 788827

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-hydroxy-1H-indol-3-yl)imino]-3-(dimethylamino)benzamide?
The IUPAC name of N-[(5-chloro-2-hydroxy-1H-indol-3-yl)imino]-3-(dimethylamino)benzamide (CID 135982620) is N-[(5-chloro-2-hydroxy-1H-indol-3-yl)imino]-3-(dimethylamino)benzamide.
What is the SMILES notation for N-[(5-chloro-2-hydroxy-1H-indol-3-yl)imino]-3-(dimethylamino)benzamide?
The canonical SMILES for N-[(5-chloro-2-hydroxy-1H-indol-3-yl)imino]-3-(dimethylamino)benzamide is CN(C)c1cccc(C(=O)/N=N/c2c(O)[nH]c3ccc(Cl)cc23)c1.
What is the InChIKey of N-[(5-chloro-2-hydroxy-1H-indol-3-yl)imino]-3-(dimethylamino)benzamide?
The InChIKey is ZIIJPQIZBXIBSK-QZQOTICOSA-N. The full InChI is InChI=1S/C17H15ClN4O2/c1-22(2)12-5-3-4-10(8-12)16(23)21-20-15-13-9-11(18)6-7-14(13)19-17(15)24/h3-9,19,24H,1-2H3/b21-20+.
What are the key properties of N-[(5-chloro-2-hydroxy-1H-indol-3-yl)imino]-3-(dimethylamino)benzamide?
N-[(5-chloro-2-hydroxy-1H-indol-3-yl)imino]-3-(dimethylamino)benzamide has a molecular weight of 342.79 g/mol, XLogP of 4.52, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-hydroxy-1H-indol-3-yl)imino]-3-(dimethylamino)benzamide is sourced from PubChem (CID 135982620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).