N-[(7-bromo-2-hydroxy-1H-indol-3-yl)imino]-4-chlorobenzamide

C15H9BrClN3O2 — CID 1040030

IUPACN-[(7-bromo-2-hydroxy-1H-indol-3-yl)imino]-4-chlorobenzamide
SMILESO=C(/N=N/c1c(O)[nH]c2c(Br)cccc12)c1ccc(Cl)cc1
InChIInChI=1S/C15H9BrClN3O2/c16-11-3-1-2-10-12(11)18-15(22)13(10)19-20-14(21)8-4-6-9(17)7-5-8/h1-7,18,22H/b20-19+
InChIKeyJJNNYSGYHSJVJC-FMQUCBEESA-N
MW378.61 g/mol
LogP5.21
Rot. Bonds2

About N-[(7-bromo-2-hydroxy-1H-indol-3-yl)imino]-4-chlorobenzamide

N-[(7-bromo-2-hydroxy-1H-indol-3-yl)imino]-4-chlorobenzamide (PubChem CID 1040030) has the molecular formula C15H9BrClN3O2 and a molecular weight of 378.61 g/mol. Its IUPAC name is N-[(7-bromo-2-hydroxy-1H-indol-3-yl)imino]-4-chlorobenzamide.

Molecular Properties

Compound NameN-[(7-bromo-2-hydroxy-1H-indol-3-yl)imino]-4-chlorobenzamide
PubChem CID1040030
Molecular FormulaC15H9BrClN3O2
Molecular Weight378.61 g/mol
Exact Mass376.96
IUPAC NameN-[(7-bromo-2-hydroxy-1H-indol-3-yl)imino]-4-chlorobenzamide
SMILESO=C(/N=N/c1c(O)[nH]c2c(Br)cccc12)c1ccc(Cl)cc1
InChIInChI=1S/C15H9BrClN3O2/c16-11-3-1-2-10-12(11)18-15(22)13(10)19-20-14(21)8-4-6-9(17)7-5-8/h1-7,18,22H/b20-19+
InChIKeyJJNNYSGYHSJVJC-FMQUCBEESA-N
XLogP5.21
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.61
LogP ≤ 55.21
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'}

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Related Compounds

4-[(4-chlorobenzoyl)amino]-N-[(2-hydroxy-1H-indol-3-yl)imino]benzamide
CID 4182686
4-chloro-N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]benzamide
CID 5156367
4-tert-butyl-N-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)imino]benzamide
CID 4571048
N-[(2-hydroxy-1H-indol-3-yl)imino]-4-methylbenzamide
CID 747707
N-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)imino]-3-nitrobenzamide
CID 3093249
4-benzoyl-N-[(2-hydroxy-1H-indol-3-yl)imino]benzamide
CID 2309926
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-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-4-[(4-chlorophenyl)sulfanylmethyl]benzamide
CID 137172327
N-[(5-chloro-2-hydroxy-1H-indol-3-yl)imino]-3-(dimethylamino)benzamide
CID 135982620
N-[(2-hydroxy-7-methyl-1H-indol-3-yl)imino]-3,5-dimethoxybenzamide
CID 135582404
4-[(4-chlorophenyl)methoxy]-N-[(2-hydroxy-5,7-dimethyl-1H-indol-3-yl)imino]benzamide
CID 3607032

Frequently Asked Questions

What is the IUPAC name of N-[(7-bromo-2-hydroxy-1H-indol-3-yl)imino]-4-chlorobenzamide?
The IUPAC name of N-[(7-bromo-2-hydroxy-1H-indol-3-yl)imino]-4-chlorobenzamide (CID 1040030) is N-[(7-bromo-2-hydroxy-1H-indol-3-yl)imino]-4-chlorobenzamide.
What is the SMILES notation for N-[(7-bromo-2-hydroxy-1H-indol-3-yl)imino]-4-chlorobenzamide?
The canonical SMILES for N-[(7-bromo-2-hydroxy-1H-indol-3-yl)imino]-4-chlorobenzamide is O=C(/N=N/c1c(O)[nH]c2c(Br)cccc12)c1ccc(Cl)cc1.
What is the InChIKey of N-[(7-bromo-2-hydroxy-1H-indol-3-yl)imino]-4-chlorobenzamide?
The InChIKey is JJNNYSGYHSJVJC-FMQUCBEESA-N. The full InChI is InChI=1S/C15H9BrClN3O2/c16-11-3-1-2-10-12(11)18-15(22)13(10)19-20-14(21)8-4-6-9(17)7-5-8/h1-7,18,22H/b20-19+.
What are the key properties of N-[(7-bromo-2-hydroxy-1H-indol-3-yl)imino]-4-chlorobenzamide?
N-[(7-bromo-2-hydroxy-1H-indol-3-yl)imino]-4-chlorobenzamide has a molecular weight of 378.61 g/mol, XLogP of 5.21, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-bromo-2-hydroxy-1H-indol-3-yl)imino]-4-chlorobenzamide is sourced from PubChem (CID 1040030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).