3-bromo-N-[(2-hydroxy-1H-indol-3-yl)imino]-4-methoxybenzamide

C16H12BrN3O3 — CID 5153691

IUPAC3-bromo-N-[(2-hydroxy-1H-indol-3-yl)imino]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)/N=N/c2c(O)[nH]c3ccccc23)cc1Br
InChIInChI=1S/C16H12BrN3O3/c1-23-13-7-6-9(8-11(13)17)15(21)20-19-14-10-4-2-3-5-12(10)18-16(14)22/h2-8,18,22H,1H3/b20-19+
InChIKeyXJYCTOJRNFURFD-FMQUCBEESA-N
MW374.19 g/mol
LogP4.57
Rot. Bonds3

About 3-bromo-N-[(2-hydroxy-1H-indol-3-yl)imino]-4-methoxybenzamide

3-bromo-N-[(2-hydroxy-1H-indol-3-yl)imino]-4-methoxybenzamide (PubChem CID 5153691) has the molecular formula C16H12BrN3O3 and a molecular weight of 374.19 g/mol. Its IUPAC name is 3-bromo-N-[(2-hydroxy-1H-indol-3-yl)imino]-4-methoxybenzamide.

Molecular Properties

Compound Name3-bromo-N-[(2-hydroxy-1H-indol-3-yl)imino]-4-methoxybenzamide
PubChem CID5153691
Molecular FormulaC16H12BrN3O3
Molecular Weight374.19 g/mol
Exact Mass373.01
IUPAC Name3-bromo-N-[(2-hydroxy-1H-indol-3-yl)imino]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)/N=N/c2c(O)[nH]c3ccccc23)cc1Br
InChIInChI=1S/C16H12BrN3O3/c1-23-13-7-6-9(8-11(13)17)15(21)20-19-14-10-4-2-3-5-12(10)18-16(14)22/h2-8,18,22H,1H3/b20-19+
InChIKeyXJYCTOJRNFURFD-FMQUCBEESA-N
XLogP4.57
TPSA87.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.19
LogP ≤ 54.57
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-bromo-N-[(2-hydroxy-1H-indol-3-yl)imino]-4-methylbenzamide
CID 3249407
3-bromo-N-[(2-hydroxy-1H-indol-3-yl)imino]benzamide
CID 749764
N-[(2-hydroxy-1H-indol-3-yl)imino]-4-methylbenzamide
CID 747707
N-[(2-hydroxy-1H-indol-3-yl)imino]-3-methylbenzamide
CID 749780
4-benzoyl-N-[(2-hydroxy-1H-indol-3-yl)imino]benzamide
CID 2309926
N-[(2-hydroxy-1H-indol-3-yl)imino]pyridin-1-ium-4-carboxamide acetate
CID 135794083
N-[(2-hydroxy-1H-indol-3-yl)imino]-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 4687747
2-(2-bromo-4-tert-butylphenoxy)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide
CID 4922230
2-N,5-N-bis[(2-hydroxy-1H-indol-3-yl)imino]pyridine-2,5-dicarboxamide
CID 171983173
N-[(6-fluoro-2-hydroxy-1H-indol-3-yl)imino]-3,4,5-trimethoxybenzamide
CID 135836838
3-bromo-N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]benzamide
CID 1034759
N-[1-(3,4-dimethoxyphenyl)-3-[(2-hydroxy-1H-indol-3-yl)diazenyl]-3-oxoprop-1-en-2-yl]benzamide
CID 3093261

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(2-hydroxy-1H-indol-3-yl)imino]-4-methoxybenzamide?
The IUPAC name of 3-bromo-N-[(2-hydroxy-1H-indol-3-yl)imino]-4-methoxybenzamide (CID 5153691) is 3-bromo-N-[(2-hydroxy-1H-indol-3-yl)imino]-4-methoxybenzamide.
What is the SMILES notation for 3-bromo-N-[(2-hydroxy-1H-indol-3-yl)imino]-4-methoxybenzamide?
The canonical SMILES for 3-bromo-N-[(2-hydroxy-1H-indol-3-yl)imino]-4-methoxybenzamide is COc1ccc(C(=O)/N=N/c2c(O)[nH]c3ccccc23)cc1Br.
What is the InChIKey of 3-bromo-N-[(2-hydroxy-1H-indol-3-yl)imino]-4-methoxybenzamide?
The InChIKey is XJYCTOJRNFURFD-FMQUCBEESA-N. The full InChI is InChI=1S/C16H12BrN3O3/c1-23-13-7-6-9(8-11(13)17)15(21)20-19-14-10-4-2-3-5-12(10)18-16(14)22/h2-8,18,22H,1H3/b20-19+.
What are the key properties of 3-bromo-N-[(2-hydroxy-1H-indol-3-yl)imino]-4-methoxybenzamide?
3-bromo-N-[(2-hydroxy-1H-indol-3-yl)imino]-4-methoxybenzamide has a molecular weight of 374.19 g/mol, XLogP of 4.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(2-hydroxy-1H-indol-3-yl)imino]-4-methoxybenzamide is sourced from PubChem (CID 5153691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).