N-(5-bromo-2-hydroxy-1-pentylindol-3-yl)imino-2-(4-bromophenoxy)acetamide

C21H21Br2N3O3 — CID 135604171

IUPACN-(5-bromo-2-hydroxy-1-pentylindol-3-yl)imino-2-(4-bromophenoxy)acetamide
SMILESCCCCCn1c(O)c(/N=N/C(=O)COc2ccc(Br)cc2)c2cc(Br)ccc21
InChIInChI=1S/C21H21Br2N3O3/c1-2-3-4-11-26-18-10-7-15(23)12-17(18)20(21(26)28)25-24-19(27)13-29-16-8-5-14(22)6-9-16/h5-10,12,28H,2-4,11,13H2,1H3/b25-24+
InChIKeyCRIKOJJIOZEYPG-OCOZRVBESA-N
MW523.23 g/mol
LogP6.75
Rot. Bonds8

About N-(5-bromo-2-hydroxy-1-pentylindol-3-yl)imino-2-(4-bromophenoxy)acetamide

N-(5-bromo-2-hydroxy-1-pentylindol-3-yl)imino-2-(4-bromophenoxy)acetamide (PubChem CID 135604171) has the molecular formula C21H21Br2N3O3 and a molecular weight of 523.23 g/mol. Its IUPAC name is N-(5-bromo-2-hydroxy-1-pentylindol-3-yl)imino-2-(4-bromophenoxy)acetamide.

Molecular Properties

Compound NameN-(5-bromo-2-hydroxy-1-pentylindol-3-yl)imino-2-(4-bromophenoxy)acetamide
PubChem CID135604171
Molecular FormulaC21H21Br2N3O3
Molecular Weight523.23 g/mol
Exact Mass520.99
IUPAC NameN-(5-bromo-2-hydroxy-1-pentylindol-3-yl)imino-2-(4-bromophenoxy)acetamide
SMILESCCCCCn1c(O)c(/N=N/C(=O)COc2ccc(Br)cc2)c2cc(Br)ccc21
InChIInChI=1S/C21H21Br2N3O3/c1-2-3-4-11-26-18-10-7-15(23)12-17(18)20(21(26)28)25-24-19(27)13-29-16-8-5-14(22)6-9-16/h5-10,12,28H,2-4,11,13H2,1H3/b25-24+
InChIKeyCRIKOJJIOZEYPG-OCOZRVBESA-N
XLogP6.75
TPSA76.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.23
LogP ≤ 56.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

N-(5-bromo-2-hydroxy-1-pentylindol-3-yl)imino-2-phenoxyacetamide
CID 135604167
2-(3,4-dimethylphenoxy)-N-(2-hydroxy-1-pentylindol-3-yl)iminoacetamide
CID 135726405
2-(3,5-dimethylphenoxy)-N-(2-hydroxy-1-pentylindol-3-yl)iminoacetamide
CID 135726406
N-(5-bromo-2-hydroxy-1-methylindol-3-yl)imino-2-naphthalen-2-yloxyacetamide
CID 1377579
N-(5-bromo-1-ethyl-2-hydroxyindol-3-yl)imino-2-(2-bromophenoxy)acetamide
CID 4635264
N-[5-bromo-1-[(2-chlorophenyl)methyl]-2-hydroxyindol-3-yl]imino-2-phenoxyacetamide
CID 135726441
N-(5-bromo-2-hydroxy-1-pentylindol-3-yl)imino-2-chlorobenzamide
CID 135726463
2-(4-chloro-2-methylphenoxy)-N-(2-hydroxy-5-methoxy-1-pentylindol-3-yl)iminoacetamide
CID 4506316
N,N'-bis[(2-hydroxy-5-methyl-1-pentylindol-3-yl)imino]butanediamide
CID 4502441
2-(4-cyanophenoxy)-N-(1-ethyl-2-hydroxy-5-methylindol-3-yl)iminoacetamide
CID 135838548
N-(1-ethyl-2-hydroxy-5-methylindol-3-yl)imino-2-phenoxyacetamide
CID 4500546
2-(2-bromophenoxy)-N-(2-hydroxy-5-methyl-1-propylindol-3-yl)iminoacetamide
CID 4501600

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-hydroxy-1-pentylindol-3-yl)imino-2-(4-bromophenoxy)acetamide?
The IUPAC name of N-(5-bromo-2-hydroxy-1-pentylindol-3-yl)imino-2-(4-bromophenoxy)acetamide (CID 135604171) is N-(5-bromo-2-hydroxy-1-pentylindol-3-yl)imino-2-(4-bromophenoxy)acetamide.
What is the SMILES notation for N-(5-bromo-2-hydroxy-1-pentylindol-3-yl)imino-2-(4-bromophenoxy)acetamide?
The canonical SMILES for N-(5-bromo-2-hydroxy-1-pentylindol-3-yl)imino-2-(4-bromophenoxy)acetamide is CCCCCn1c(O)c(/N=N/C(=O)COc2ccc(Br)cc2)c2cc(Br)ccc21.
What is the InChIKey of N-(5-bromo-2-hydroxy-1-pentylindol-3-yl)imino-2-(4-bromophenoxy)acetamide?
The InChIKey is CRIKOJJIOZEYPG-OCOZRVBESA-N. The full InChI is InChI=1S/C21H21Br2N3O3/c1-2-3-4-11-26-18-10-7-15(23)12-17(18)20(21(26)28)25-24-19(27)13-29-16-8-5-14(22)6-9-16/h5-10,12,28H,2-4,11,13H2,1H3/b25-24+.
What are the key properties of N-(5-bromo-2-hydroxy-1-pentylindol-3-yl)imino-2-(4-bromophenoxy)acetamide?
N-(5-bromo-2-hydroxy-1-pentylindol-3-yl)imino-2-(4-bromophenoxy)acetamide has a molecular weight of 523.23 g/mol, XLogP of 6.75, 8 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-pentylindol-3-yl)imino-2-(4-bromophenoxy)acetamide is sourced from PubChem (CID 135604171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).