N-(5-bromo-2-hydroxy-1-methylindol-3-yl)imino-2-naphthalen-2-yloxyacetamide

C21H16BrN3O3 — CID 1377579

IUPACN-(5-bromo-2-hydroxy-1-methylindol-3-yl)imino-2-naphthalen-2-yloxyacetamide
SMILESCn1c(O)c(/N=N/C(=O)COc2ccc3ccccc3c2)c2cc(Br)ccc21
InChIInChI=1S/C21H16BrN3O3/c1-25-18-9-7-15(22)11-17(18)20(21(25)27)24-23-19(26)12-28-16-8-6-13-4-2-3-5-14(13)10-16/h2-11,27H,12H2,1H3/b24-23+
InChIKeyNOIYRCAEKMCNIK-WCWDXBQESA-N
MW438.28 g/mol
LogP5.49
Rot. Bonds4

About N-(5-bromo-2-hydroxy-1-methylindol-3-yl)imino-2-naphthalen-2-yloxyacetamide

N-(5-bromo-2-hydroxy-1-methylindol-3-yl)imino-2-naphthalen-2-yloxyacetamide (PubChem CID 1377579) has the molecular formula C21H16BrN3O3 and a molecular weight of 438.28 g/mol. Its IUPAC name is N-(5-bromo-2-hydroxy-1-methylindol-3-yl)imino-2-naphthalen-2-yloxyacetamide.

Molecular Properties

Compound NameN-(5-bromo-2-hydroxy-1-methylindol-3-yl)imino-2-naphthalen-2-yloxyacetamide
PubChem CID1377579
Molecular FormulaC21H16BrN3O3
Molecular Weight438.28 g/mol
Exact Mass437.04
IUPAC NameN-(5-bromo-2-hydroxy-1-methylindol-3-yl)imino-2-naphthalen-2-yloxyacetamide
SMILESCn1c(O)c(/N=N/C(=O)COc2ccc3ccccc3c2)c2cc(Br)ccc21
InChIInChI=1S/C21H16BrN3O3/c1-25-18-9-7-15(22)11-17(18)20(21(25)27)24-23-19(26)12-28-16-8-6-13-4-2-3-5-14(13)10-16/h2-11,27H,12H2,1H3/b24-23+
InChIKeyNOIYRCAEKMCNIK-WCWDXBQESA-N
XLogP5.49
TPSA76.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.28
LogP ≤ 55.49
H-Bond Donors ≤ 51
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-(5-bromo-2-hydroxy-1-methylindol-3-yl)imino-2-naphthalen-2-yloxyacetamide?
The IUPAC name of N-(5-bromo-2-hydroxy-1-methylindol-3-yl)imino-2-naphthalen-2-yloxyacetamide (CID 1377579) is N-(5-bromo-2-hydroxy-1-methylindol-3-yl)imino-2-naphthalen-2-yloxyacetamide.
What is the SMILES notation for N-(5-bromo-2-hydroxy-1-methylindol-3-yl)imino-2-naphthalen-2-yloxyacetamide?
The canonical SMILES for N-(5-bromo-2-hydroxy-1-methylindol-3-yl)imino-2-naphthalen-2-yloxyacetamide is Cn1c(O)c(/N=N/C(=O)COc2ccc3ccccc3c2)c2cc(Br)ccc21.
What is the InChIKey of N-(5-bromo-2-hydroxy-1-methylindol-3-yl)imino-2-naphthalen-2-yloxyacetamide?
The InChIKey is NOIYRCAEKMCNIK-WCWDXBQESA-N. The full InChI is InChI=1S/C21H16BrN3O3/c1-25-18-9-7-15(22)11-17(18)20(21(25)27)24-23-19(26)12-28-16-8-6-13-4-2-3-5-14(13)10-16/h2-11,27H,12H2,1H3/b24-23+.
What are the key properties of N-(5-bromo-2-hydroxy-1-methylindol-3-yl)imino-2-naphthalen-2-yloxyacetamide?
N-(5-bromo-2-hydroxy-1-methylindol-3-yl)imino-2-naphthalen-2-yloxyacetamide has a molecular weight of 438.28 g/mol, XLogP of 5.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-hydroxy-1-methylindol-3-yl)imino-2-naphthalen-2-yloxyacetamide is sourced from PubChem (CID 1377579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).