4-amino-N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]benzamide

C15H11BrN4O2 — CID 1368694

IUPAC4-amino-N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]benzamide
SMILESNc1ccc(C(=O)/N=N/c2c(O)[nH]c3ccc(Br)cc23)cc1
InChIInChI=1S/C15H11BrN4O2/c16-9-3-6-12-11(7-9)13(15(22)18-12)19-20-14(21)8-1-4-10(17)5-2-8/h1-7,18,22H,17H2/b20-19+
InChIKeyCYOZAXNTUULXHH-FMQUCBEESA-N
MW359.18 g/mol
LogP4.14
Rot. Bonds2

About 4-amino-N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]benzamide

4-amino-N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]benzamide (PubChem CID 1368694) has the molecular formula C15H11BrN4O2 and a molecular weight of 359.18 g/mol. Its IUPAC name is 4-amino-N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]benzamide.

Molecular Properties

Compound Name4-amino-N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]benzamide
PubChem CID1368694
Molecular FormulaC15H11BrN4O2
Molecular Weight359.18 g/mol
Exact Mass358.01
IUPAC Name4-amino-N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]benzamide
SMILESNc1ccc(C(=O)/N=N/c2c(O)[nH]c3ccc(Br)cc23)cc1
InChIInChI=1S/C15H11BrN4O2/c16-9-3-6-12-11(7-9)13(15(22)18-12)19-20-14(21)8-1-4-10(17)5-2-8/h1-7,18,22H,17H2/b20-19+
InChIKeyCYOZAXNTUULXHH-FMQUCBEESA-N
XLogP4.14
TPSA103.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.18
LogP ≤ 54.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]benzamide?
The IUPAC name of 4-amino-N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]benzamide (CID 1368694) is 4-amino-N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]benzamide.
What is the SMILES notation for 4-amino-N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]benzamide?
The canonical SMILES for 4-amino-N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]benzamide is Nc1ccc(C(=O)/N=N/c2c(O)[nH]c3ccc(Br)cc23)cc1.
What is the InChIKey of 4-amino-N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]benzamide?
The InChIKey is CYOZAXNTUULXHH-FMQUCBEESA-N. The full InChI is InChI=1S/C15H11BrN4O2/c16-9-3-6-12-11(7-9)13(15(22)18-12)19-20-14(21)8-1-4-10(17)5-2-8/h1-7,18,22H,17H2/b20-19+.
What are the key properties of 4-amino-N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]benzamide?
4-amino-N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]benzamide has a molecular weight of 359.18 g/mol, XLogP of 4.14, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]benzamide is sourced from PubChem (CID 1368694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).