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

C23H20BrN3O3 — CID 4635422

IUPACN-(5-bromo-2-hydroxy-1-propan-2-ylindol-3-yl)imino-2-naphthalen-1-yloxyacetamide
SMILESCC(C)n1c(O)c(/N=N/C(=O)COc2cccc3ccccc23)c2cc(Br)ccc21
InChIInChI=1S/C23H20BrN3O3/c1-14(2)27-19-11-10-16(24)12-18(19)22(23(27)29)26-25-21(28)13-30-20-9-5-7-15-6-3-4-8-17(15)20/h3-12,14,29H,13H2,1-2H3/b26-25+
InChIKeyASZZFDMUNSQNOU-OCEACIFDSA-N
MW466.34 g/mol
LogP6.53
Rot. Bonds5

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

N-(5-bromo-2-hydroxy-1-propan-2-ylindol-3-yl)imino-2-naphthalen-1-yloxyacetamide (PubChem CID 4635422) has the molecular formula C23H20BrN3O3 and a molecular weight of 466.34 g/mol. Its IUPAC name is N-(5-bromo-2-hydroxy-1-propan-2-ylindol-3-yl)imino-2-naphthalen-1-yloxyacetamide.

Molecular Properties

Compound NameN-(5-bromo-2-hydroxy-1-propan-2-ylindol-3-yl)imino-2-naphthalen-1-yloxyacetamide
PubChem CID4635422
Molecular FormulaC23H20BrN3O3
Molecular Weight466.34 g/mol
Exact Mass465.07
IUPAC NameN-(5-bromo-2-hydroxy-1-propan-2-ylindol-3-yl)imino-2-naphthalen-1-yloxyacetamide
SMILESCC(C)n1c(O)c(/N=N/C(=O)COc2cccc3ccccc23)c2cc(Br)ccc21
InChIInChI=1S/C23H20BrN3O3/c1-14(2)27-19-11-10-16(24)12-18(19)22(23(27)29)26-25-21(28)13-30-20-9-5-7-15-6-3-4-8-17(15)20/h3-12,14,29H,13H2,1-2H3/b26-25+
InChIKeyASZZFDMUNSQNOU-OCEACIFDSA-N
XLogP6.53
TPSA76.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.34
LogP ≤ 56.53
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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Related Compounds

N,N'-bis[(5-bromo-2-hydroxy-1-propan-2-ylindol-3-yl)imino]octanediamide
CID 4632186
N-(5-bromo-1-ethyl-2-hydroxyindol-3-yl)imino-2-(2-bromophenoxy)acetamide
CID 4635264
N-(5-bromo-2-hydroxy-1-methylindol-3-yl)imino-2-naphthalen-2-yloxyacetamide
CID 1377579
N-[5-bromo-1-[(2-chlorophenyl)methyl]-2-hydroxyindol-3-yl]imino-2-(2-methylphenoxy)acetamide
CID 135604139
2-(4-chloro-2-methylphenoxy)-N-(2-hydroxy-5-methoxy-1-propan-2-ylindol-3-yl)iminoacetamide
CID 4504996
N-(5-bromo-2-hydroxy-1-pentylindol-3-yl)imino-2-phenoxyacetamide
CID 135604167
N-(2-hydroxy-1-propan-2-ylindol-3-yl)imino-2-phenylacetamide
CID 726771
N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-naphthalen-1-yloxyacetamide
CID 4634793
N-(5-bromo-2-hydroxy-1-pentylindol-3-yl)imino-2-(4-bromophenoxy)acetamide
CID 135604171
N-[5-bromo-1-(diethylaminomethyl)-2-hydroxyindol-3-yl]imino-2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)acetamide
CID 2321334
N-[5-bromo-1-[(2-chlorophenyl)methyl]-2-hydroxyindol-3-yl]imino-2-phenoxyacetamide
CID 135726441
N-(2-hydroxy-1,5-dimethylindol-3-yl)imino-2-(2-methyl-4-propan-2-ylphenoxy)acetamide
CID 1243514

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-hydroxy-1-propan-2-ylindol-3-yl)imino-2-naphthalen-1-yloxyacetamide?
The IUPAC name of N-(5-bromo-2-hydroxy-1-propan-2-ylindol-3-yl)imino-2-naphthalen-1-yloxyacetamide (CID 4635422) is N-(5-bromo-2-hydroxy-1-propan-2-ylindol-3-yl)imino-2-naphthalen-1-yloxyacetamide.
What is the SMILES notation for N-(5-bromo-2-hydroxy-1-propan-2-ylindol-3-yl)imino-2-naphthalen-1-yloxyacetamide?
The canonical SMILES for N-(5-bromo-2-hydroxy-1-propan-2-ylindol-3-yl)imino-2-naphthalen-1-yloxyacetamide is CC(C)n1c(O)c(/N=N/C(=O)COc2cccc3ccccc23)c2cc(Br)ccc21.
What is the InChIKey of N-(5-bromo-2-hydroxy-1-propan-2-ylindol-3-yl)imino-2-naphthalen-1-yloxyacetamide?
The InChIKey is ASZZFDMUNSQNOU-OCEACIFDSA-N. The full InChI is InChI=1S/C23H20BrN3O3/c1-14(2)27-19-11-10-16(24)12-18(19)22(23(27)29)26-25-21(28)13-30-20-9-5-7-15-6-3-4-8-17(15)20/h3-12,14,29H,13H2,1-2H3/b26-25+.
What are the key properties of N-(5-bromo-2-hydroxy-1-propan-2-ylindol-3-yl)imino-2-naphthalen-1-yloxyacetamide?
N-(5-bromo-2-hydroxy-1-propan-2-ylindol-3-yl)imino-2-naphthalen-1-yloxyacetamide has a molecular weight of 466.34 g/mol, XLogP of 6.53, 5 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-propan-2-ylindol-3-yl)imino-2-naphthalen-1-yloxyacetamide is sourced from PubChem (CID 4635422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).