N-[(2-hydroxy-1H-indol-3-yl)imino]-2-iodobenzamide

C15H10IN3O2 — CID 615744

IUPACN-[(2-hydroxy-1H-indol-3-yl)imino]-2-iodobenzamide
SMILESO=C(/N=N/c1c(O)[nH]c2ccccc12)c1ccccc1I
InChIInChI=1S/C15H10IN3O2/c16-11-7-3-1-5-9(11)14(20)19-18-13-10-6-2-4-8-12(10)17-15(13)21/h1-8,17,21H/b19-18+
InChIKeyLQGGTIFQZNJLHP-VHEBQXMUSA-N
MW391.17 g/mol
LogP4.40
Rot. Bonds2

About N-[(2-hydroxy-1H-indol-3-yl)imino]-2-iodobenzamide

N-[(2-hydroxy-1H-indol-3-yl)imino]-2-iodobenzamide (PubChem CID 615744) has the molecular formula C15H10IN3O2 and a molecular weight of 391.17 g/mol. Its IUPAC name is N-[(2-hydroxy-1H-indol-3-yl)imino]-2-iodobenzamide.

Molecular Properties

Compound NameN-[(2-hydroxy-1H-indol-3-yl)imino]-2-iodobenzamide
PubChem CID615744
Molecular FormulaC15H10IN3O2
Molecular Weight391.17 g/mol
Exact Mass390.98
IUPAC NameN-[(2-hydroxy-1H-indol-3-yl)imino]-2-iodobenzamide
SMILESO=C(/N=N/c1c(O)[nH]c2ccccc12)c1ccccc1I
InChIInChI=1S/C15H10IN3O2/c16-11-7-3-1-5-9(11)14(20)19-18-13-10-6-2-4-8-12(10)17-15(13)21/h1-8,17,21H/b19-18+
InChIKeyLQGGTIFQZNJLHP-VHEBQXMUSA-N
XLogP4.40
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.17
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(6-bromo-2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-iodobenzamide
CID 1072227
N-[(2-hydroxy-1H-indol-3-yl)imino]-4-methylbenzamide
CID 747707
4-benzoyl-N-[(2-hydroxy-1H-indol-3-yl)imino]benzamide
CID 2309926
2-hexoxy-N-[(2-hydroxy-1H-indol-3-yl)imino]benzamide
CID 578620
N-[(2-hydroxy-1H-indol-3-yl)imino]quinoline-2-carboxamide
CID 821634
2-hydroxy-N-[(2-hydroxy-1H-indol-3-yl)imino]-5-nitrobenzamide
CID 135976516
N-[(2-hydroxy-1H-indol-3-yl)imino]-2,5-dinitrobenzamide
CID 3597400
N-[(2-hydroxy-1H-indol-3-yl)imino]-3-methylbenzamide
CID 749780
3-bromo-N-[(2-hydroxy-1H-indol-3-yl)imino]benzamide
CID 749764
N-[(2-hydroxy-1H-indol-3-yl)imino]pyridin-1-ium-4-carboxamide acetate
CID 135794083
2-[(2-hydroxy-1H-indol-3-yl)diazenyl]benzoic acid
CID 3784946
N-[(2-hydroxy-1H-indol-3-yl)imino]cyclopropanecarboxamide
CID 922351

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxy-1H-indol-3-yl)imino]-2-iodobenzamide?
The IUPAC name of N-[(2-hydroxy-1H-indol-3-yl)imino]-2-iodobenzamide (CID 615744) is N-[(2-hydroxy-1H-indol-3-yl)imino]-2-iodobenzamide.
What is the SMILES notation for N-[(2-hydroxy-1H-indol-3-yl)imino]-2-iodobenzamide?
The canonical SMILES for N-[(2-hydroxy-1H-indol-3-yl)imino]-2-iodobenzamide is O=C(/N=N/c1c(O)[nH]c2ccccc12)c1ccccc1I.
What is the InChIKey of N-[(2-hydroxy-1H-indol-3-yl)imino]-2-iodobenzamide?
The InChIKey is LQGGTIFQZNJLHP-VHEBQXMUSA-N. The full InChI is InChI=1S/C15H10IN3O2/c16-11-7-3-1-5-9(11)14(20)19-18-13-10-6-2-4-8-12(10)17-15(13)21/h1-8,17,21H/b19-18+.
What are the key properties of N-[(2-hydroxy-1H-indol-3-yl)imino]-2-iodobenzamide?
N-[(2-hydroxy-1H-indol-3-yl)imino]-2-iodobenzamide has a molecular weight of 391.17 g/mol, XLogP of 4.40, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxy-1H-indol-3-yl)imino]-2-iodobenzamide is sourced from PubChem (CID 615744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).