N-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)imino]-4-fluorobenzamide

C15H8Br2FN3O2 — CID 1219015

IUPACN-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)imino]-4-fluorobenzamide
SMILESO=C(/N=N/c1c(O)[nH]c2c(Br)cc(Br)cc12)c1ccc(F)cc1
InChIInChI=1S/C15H8Br2FN3O2/c16-8-5-10-12(11(17)6-8)19-15(23)13(10)20-21-14(22)7-1-3-9(18)4-2-7/h1-6,19,23H/b21-20+
InChIKeyKSBBHSZMPXQECM-QZQOTICOSA-N
MW441.05 g/mol
LogP5.46
Rot. Bonds2

About N-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)imino]-4-fluorobenzamide

N-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)imino]-4-fluorobenzamide (PubChem CID 1219015) has the molecular formula C15H8Br2FN3O2 and a molecular weight of 441.05 g/mol. Its IUPAC name is N-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)imino]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)imino]-4-fluorobenzamide
PubChem CID1219015
Molecular FormulaC15H8Br2FN3O2
Molecular Weight441.05 g/mol
Exact Mass438.90
IUPAC NameN-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)imino]-4-fluorobenzamide
SMILESO=C(/N=N/c1c(O)[nH]c2c(Br)cc(Br)cc12)c1ccc(F)cc1
InChIInChI=1S/C15H8Br2FN3O2/c16-8-5-10-12(11(17)6-8)19-15(23)13(10)20-21-14(22)7-1-3-9(18)4-2-7/h1-6,19,23H/b21-20+
InChIKeyKSBBHSZMPXQECM-QZQOTICOSA-N
XLogP5.46
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.05
LogP ≤ 55.46
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 N-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)imino]-4-fluorobenzamide?
The IUPAC name of N-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)imino]-4-fluorobenzamide (CID 1219015) is N-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)imino]-4-fluorobenzamide.
What is the SMILES notation for N-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)imino]-4-fluorobenzamide?
The canonical SMILES for N-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)imino]-4-fluorobenzamide is O=C(/N=N/c1c(O)[nH]c2c(Br)cc(Br)cc12)c1ccc(F)cc1.
What is the InChIKey of N-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)imino]-4-fluorobenzamide?
The InChIKey is KSBBHSZMPXQECM-QZQOTICOSA-N. The full InChI is InChI=1S/C15H8Br2FN3O2/c16-8-5-10-12(11(17)6-8)19-15(23)13(10)20-21-14(22)7-1-3-9(18)4-2-7/h1-6,19,23H/b21-20+.
What are the key properties of N-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)imino]-4-fluorobenzamide?
N-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)imino]-4-fluorobenzamide has a molecular weight of 441.05 g/mol, XLogP of 5.46, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)imino]-4-fluorobenzamide is sourced from PubChem (CID 1219015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).