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

C16H13BrN4O2 — CID 2455709

IUPAC4-(aminomethyl)-N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]benzamide
SMILESNCc1ccc(C(=O)/N=N/c2c(O)[nH]c3ccc(Br)cc23)cc1
InChIInChI=1S/C16H13BrN4O2/c17-11-5-6-13-12(7-11)14(16(23)19-13)20-21-15(22)10-3-1-9(8-18)2-4-10/h1-7,19,23H,8,18H2/b21-20+
InChIKeyMSNGCXHIROSDPM-QZQOTICOSA-N
MW373.21 g/mol
LogP4.02
Rot. Bonds3

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

4-(aminomethyl)-N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]benzamide (PubChem CID 2455709) has the molecular formula C16H13BrN4O2 and a molecular weight of 373.21 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]benzamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]benzamide
PubChem CID2455709
Molecular FormulaC16H13BrN4O2
Molecular Weight373.21 g/mol
Exact Mass372.02
IUPAC Name4-(aminomethyl)-N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]benzamide
SMILESNCc1ccc(C(=O)/N=N/c2c(O)[nH]c3ccc(Br)cc23)cc1
InChIInChI=1S/C16H13BrN4O2/c17-11-5-6-13-12(7-11)14(16(23)19-13)20-21-15(22)10-3-1-9(8-18)2-4-10/h1-7,19,23H,8,18H2/b21-20+
InChIKeyMSNGCXHIROSDPM-QZQOTICOSA-N
XLogP4.02
TPSA103.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.21
LogP ≤ 54.02
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]benzamide?
The IUPAC name of 4-(aminomethyl)-N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]benzamide (CID 2455709) is 4-(aminomethyl)-N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]benzamide.
What is the SMILES notation for 4-(aminomethyl)-N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]benzamide?
The canonical SMILES for 4-(aminomethyl)-N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]benzamide is NCc1ccc(C(=O)/N=N/c2c(O)[nH]c3ccc(Br)cc23)cc1.
What is the InChIKey of 4-(aminomethyl)-N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]benzamide?
The InChIKey is MSNGCXHIROSDPM-QZQOTICOSA-N. The full InChI is InChI=1S/C16H13BrN4O2/c17-11-5-6-13-12(7-11)14(16(23)19-13)20-21-15(22)10-3-1-9(8-18)2-4-10/h1-7,19,23H,8,18H2/b21-20+.
What are the key properties of 4-(aminomethyl)-N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]benzamide?
4-(aminomethyl)-N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]benzamide has a molecular weight of 373.21 g/mol, XLogP of 4.02, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]benzamide is sourced from PubChem (CID 2455709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).