N-[2-[(5-bromo-2-hydroxy-1H-indol-3-yl)diazenyl]-2-oxoethyl]furan-2-carboxamide

C15H11BrN4O4 — CID 1391602

IUPACN-[2-[(5-bromo-2-hydroxy-1H-indol-3-yl)diazenyl]-2-oxoethyl]furan-2-carboxamide
SMILESO=C(CNC(=O)c1ccco1)/N=N/c1c(O)[nH]c2ccc(Br)cc12
InChIInChI=1S/C15H11BrN4O4/c16-8-3-4-10-9(6-8)13(15(23)18-10)20-19-12(21)7-17-14(22)11-2-1-5-24-11/h1-6,18,23H,7H2,(H,17,22)/b20-19+
InChIKeyNHFVDVIRIUZDGD-FMQUCBEESA-N
MW391.18 g/mol
LogP3.27
Rot. Bonds4

About N-[2-[(5-bromo-2-hydroxy-1H-indol-3-yl)diazenyl]-2-oxoethyl]furan-2-carboxamide

N-[2-[(5-bromo-2-hydroxy-1H-indol-3-yl)diazenyl]-2-oxoethyl]furan-2-carboxamide (PubChem CID 1391602) has the molecular formula C15H11BrN4O4 and a molecular weight of 391.18 g/mol. Its IUPAC name is N-[2-[(5-bromo-2-hydroxy-1H-indol-3-yl)diazenyl]-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(5-bromo-2-hydroxy-1H-indol-3-yl)diazenyl]-2-oxoethyl]furan-2-carboxamide
PubChem CID1391602
Molecular FormulaC15H11BrN4O4
Molecular Weight391.18 g/mol
Exact Mass390.00
IUPAC NameN-[2-[(5-bromo-2-hydroxy-1H-indol-3-yl)diazenyl]-2-oxoethyl]furan-2-carboxamide
SMILESO=C(CNC(=O)c1ccco1)/N=N/c1c(O)[nH]c2ccc(Br)cc12
InChIInChI=1S/C15H11BrN4O4/c16-8-3-4-10-9(6-8)13(15(23)18-10)20-19-12(21)7-17-14(22)11-2-1-5-24-11/h1-6,18,23H,7H2,(H,17,22)/b20-19+
InChIKeyNHFVDVIRIUZDGD-FMQUCBEESA-N
XLogP3.27
TPSA120.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.18
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-[2-[(5-bromo-2-hydroxy-1H-indol-3-yl)diazenyl]-2-oxoethyl]furan-2-carboxamide?
The IUPAC name of N-[2-[(5-bromo-2-hydroxy-1H-indol-3-yl)diazenyl]-2-oxoethyl]furan-2-carboxamide (CID 1391602) is N-[2-[(5-bromo-2-hydroxy-1H-indol-3-yl)diazenyl]-2-oxoethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[(5-bromo-2-hydroxy-1H-indol-3-yl)diazenyl]-2-oxoethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[(5-bromo-2-hydroxy-1H-indol-3-yl)diazenyl]-2-oxoethyl]furan-2-carboxamide is O=C(CNC(=O)c1ccco1)/N=N/c1c(O)[nH]c2ccc(Br)cc12.
What is the InChIKey of N-[2-[(5-bromo-2-hydroxy-1H-indol-3-yl)diazenyl]-2-oxoethyl]furan-2-carboxamide?
The InChIKey is NHFVDVIRIUZDGD-FMQUCBEESA-N. The full InChI is InChI=1S/C15H11BrN4O4/c16-8-3-4-10-9(6-8)13(15(23)18-10)20-19-12(21)7-17-14(22)11-2-1-5-24-11/h1-6,18,23H,7H2,(H,17,22)/b20-19+.
What are the key properties of N-[2-[(5-bromo-2-hydroxy-1H-indol-3-yl)diazenyl]-2-oxoethyl]furan-2-carboxamide?
N-[2-[(5-bromo-2-hydroxy-1H-indol-3-yl)diazenyl]-2-oxoethyl]furan-2-carboxamide has a molecular weight of 391.18 g/mol, XLogP of 3.27, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-bromo-2-hydroxy-1H-indol-3-yl)diazenyl]-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 1391602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).