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

C16H12ClN3O2 — CID 788827

IUPAC2-chloro-N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]benzamide
SMILESCc1ccc2[nH]c(O)c(/N=N/C(=O)c3ccccc3Cl)c2c1
InChIInChI=1S/C16H12ClN3O2/c1-9-6-7-13-11(8-9)14(16(22)18-13)19-20-15(21)10-4-2-3-5-12(10)17/h2-8,18,22H,1H3/b20-19+
InChIKeyDVRQSJYLURULHT-FMQUCBEESA-N
MW313.74 g/mol
LogP4.76
Rot. Bonds2

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

2-chloro-N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]benzamide (PubChem CID 788827) has the molecular formula C16H12ClN3O2 and a molecular weight of 313.74 g/mol. Its IUPAC name is 2-chloro-N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]benzamide.

Molecular Properties

Compound Name2-chloro-N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]benzamide
PubChem CID788827
Molecular FormulaC16H12ClN3O2
Molecular Weight313.74 g/mol
Exact Mass313.06
IUPAC Name2-chloro-N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]benzamide
SMILESCc1ccc2[nH]c(O)c(/N=N/C(=O)c3ccccc3Cl)c2c1
InChIInChI=1S/C16H12ClN3O2/c1-9-6-7-13-11(8-9)14(16(22)18-13)19-20-15(21)10-4-2-3-5-12(10)17/h2-8,18,22H,1H3/b20-19+
InChIKeyDVRQSJYLURULHT-FMQUCBEESA-N
XLogP4.76
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.74
LogP ≤ 54.76
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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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]benzamide?
The IUPAC name of 2-chloro-N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]benzamide (CID 788827) is 2-chloro-N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]benzamide.
What is the SMILES notation for 2-chloro-N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]benzamide?
The canonical SMILES for 2-chloro-N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]benzamide is Cc1ccc2[nH]c(O)c(/N=N/C(=O)c3ccccc3Cl)c2c1.
What is the InChIKey of 2-chloro-N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]benzamide?
The InChIKey is DVRQSJYLURULHT-FMQUCBEESA-N. The full InChI is InChI=1S/C16H12ClN3O2/c1-9-6-7-13-11(8-9)14(16(22)18-13)19-20-15(21)10-4-2-3-5-12(10)17/h2-8,18,22H,1H3/b20-19+.
What are the key properties of 2-chloro-N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]benzamide?
2-chloro-N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]benzamide has a molecular weight of 313.74 g/mol, XLogP of 4.76, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]benzamide is sourced from PubChem (CID 788827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).