N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-(2-oxochromen-7-yl)oxyacetamide

C19H12BrN3O5 — CID 137179329

IUPACN-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-(2-oxochromen-7-yl)oxyacetamide
SMILESO=C(COc1ccc2ccc(=O)oc2c1)/N=N/c1c(O)[nH]c2ccc(Br)cc12
InChIInChI=1S/C19H12BrN3O5/c20-11-3-5-14-13(7-11)18(19(26)21-14)23-22-16(24)9-27-12-4-1-10-2-6-17(25)28-15(10)8-12/h1-8,21,26H,9H2/b23-22+
InChIKeyUHDORQSITFQVSV-GHVJWSGMSA-N
MW442.23 g/mol
LogP4.43
Rot. Bonds4

About N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-(2-oxochromen-7-yl)oxyacetamide

N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-(2-oxochromen-7-yl)oxyacetamide (PubChem CID 137179329) has the molecular formula C19H12BrN3O5 and a molecular weight of 442.23 g/mol. Its IUPAC name is N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-(2-oxochromen-7-yl)oxyacetamide.

Molecular Properties

Compound NameN-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-(2-oxochromen-7-yl)oxyacetamide
PubChem CID137179329
Molecular FormulaC19H12BrN3O5
Molecular Weight442.23 g/mol
Exact Mass441.00
IUPAC NameN-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-(2-oxochromen-7-yl)oxyacetamide
SMILESO=C(COc1ccc2ccc(=O)oc2c1)/N=N/c1c(O)[nH]c2ccc(Br)cc12
InChIInChI=1S/C19H12BrN3O5/c20-11-3-5-14-13(7-11)18(19(26)21-14)23-22-16(24)9-27-12-4-1-10-2-6-17(25)28-15(10)8-12/h1-8,21,26H,9H2/b23-22+
InChIKeyUHDORQSITFQVSV-GHVJWSGMSA-N
XLogP4.43
TPSA117.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.23
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'cumarine', '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-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-(2-oxochromen-7-yl)oxyacetamide?
The IUPAC name of N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-(2-oxochromen-7-yl)oxyacetamide (CID 137179329) is N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-(2-oxochromen-7-yl)oxyacetamide.
What is the SMILES notation for N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-(2-oxochromen-7-yl)oxyacetamide?
The canonical SMILES for N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-(2-oxochromen-7-yl)oxyacetamide is O=C(COc1ccc2ccc(=O)oc2c1)/N=N/c1c(O)[nH]c2ccc(Br)cc12.
What is the InChIKey of N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-(2-oxochromen-7-yl)oxyacetamide?
The InChIKey is UHDORQSITFQVSV-GHVJWSGMSA-N. The full InChI is InChI=1S/C19H12BrN3O5/c20-11-3-5-14-13(7-11)18(19(26)21-14)23-22-16(24)9-27-12-4-1-10-2-6-17(25)28-15(10)8-12/h1-8,21,26H,9H2/b23-22+.
What are the key properties of N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-(2-oxochromen-7-yl)oxyacetamide?
N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-(2-oxochromen-7-yl)oxyacetamide has a molecular weight of 442.23 g/mol, XLogP of 4.43, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-(2-oxochromen-7-yl)oxyacetamide is sourced from PubChem (CID 137179329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).