N-[5-bromo-1-[(2-chlorophenyl)methyl]-2-hydroxyindol-3-yl]imino-2-(2-methylphenoxy)acetamide

C24H19BrClN3O3 — CID 135604139

IUPACN-[5-bromo-1-[(2-chlorophenyl)methyl]-2-hydroxyindol-3-yl]imino-2-(2-methylphenoxy)acetamide
SMILESCc1ccccc1OCC(=O)/N=N/c1c(O)n(Cc2ccccc2Cl)c2ccc(Br)cc12
InChIInChI=1S/C24H19BrClN3O3/c1-15-6-2-5-9-21(15)32-14-22(30)27-28-23-18-12-17(25)10-11-20(18)29(24(23)31)13-16-7-3-4-8-19(16)26/h2-12,31H,13-14H2,1H3/b28-27+
InChIKeyCZJWDSXZICXSGO-BYYHNAKLSA-N
MW512.79 g/mol
LogP6.81
Rot. Bonds6

About N-[5-bromo-1-[(2-chlorophenyl)methyl]-2-hydroxyindol-3-yl]imino-2-(2-methylphenoxy)acetamide

N-[5-bromo-1-[(2-chlorophenyl)methyl]-2-hydroxyindol-3-yl]imino-2-(2-methylphenoxy)acetamide (PubChem CID 135604139) has the molecular formula C24H19BrClN3O3 and a molecular weight of 512.79 g/mol. Its IUPAC name is N-[5-bromo-1-[(2-chlorophenyl)methyl]-2-hydroxyindol-3-yl]imino-2-(2-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[5-bromo-1-[(2-chlorophenyl)methyl]-2-hydroxyindol-3-yl]imino-2-(2-methylphenoxy)acetamide
PubChem CID135604139
Molecular FormulaC24H19BrClN3O3
Molecular Weight512.79 g/mol
Exact Mass511.03
IUPAC NameN-[5-bromo-1-[(2-chlorophenyl)methyl]-2-hydroxyindol-3-yl]imino-2-(2-methylphenoxy)acetamide
SMILESCc1ccccc1OCC(=O)/N=N/c1c(O)n(Cc2ccccc2Cl)c2ccc(Br)cc12
InChIInChI=1S/C24H19BrClN3O3/c1-15-6-2-5-9-21(15)32-14-22(30)27-28-23-18-12-17(25)10-11-20(18)29(24(23)31)13-16-7-3-4-8-19(16)26/h2-12,31H,13-14H2,1H3/b28-27+
InChIKeyCZJWDSXZICXSGO-BYYHNAKLSA-N
XLogP6.81
TPSA76.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.79
LogP ≤ 56.81
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-[5-bromo-1-[(2-chlorophenyl)methyl]-2-hydroxyindol-3-yl]imino-2-phenoxyacetamide
CID 135726441
2-(2-chlorophenoxy)-N-[1-[(2-chlorophenyl)methyl]-2-hydroxyindol-3-yl]iminoacetamide
CID 135604198
N-(5-bromo-1-ethyl-2-hydroxyindol-3-yl)imino-2-(2-bromophenoxy)acetamide
CID 4635264
N-[5-chloro-2-hydroxy-1-[(2-methylphenyl)methyl]indol-3-yl]imino-2-(4-methylphenoxy)acetamide
CID 135571523
N-(1-ethyl-2-hydroxy-5-methoxyindol-3-yl)imino-2-(2-methylphenoxy)acetamide
CID 4504457
N-[5-bromo-1-[(2-chlorophenyl)methyl]-2-hydroxyindol-3-yl]imino-4-nitrobenzamide
CID 135604124
N-[5-bromo-1-(diethylaminomethyl)-2-hydroxyindol-3-yl]imino-2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)acetamide
CID 2321334
2-(2-bromophenoxy)-N-(2-hydroxy-5-methyl-1-propylindol-3-yl)iminoacetamide
CID 4501600
N-(5-bromo-2-hydroxy-1-pentylindol-3-yl)imino-2-phenoxyacetamide
CID 135604167
2-(2-chlorophenoxy)-N-(1-ethyl-2-hydroxyindol-3-yl)iminoacetamide
CID 135674715
N-[2-hydroxy-1-[[4-(3-methylbutoxy)phenyl]methyl]indol-3-yl]imino-2-(2-methylphenoxy)acetamide
CID 135629759
N-(5-bromo-2-hydroxy-1-propan-2-ylindol-3-yl)imino-2-naphthalen-1-yloxyacetamide
CID 4635422

Frequently Asked Questions

What is the IUPAC name of N-[5-bromo-1-[(2-chlorophenyl)methyl]-2-hydroxyindol-3-yl]imino-2-(2-methylphenoxy)acetamide?
The IUPAC name of N-[5-bromo-1-[(2-chlorophenyl)methyl]-2-hydroxyindol-3-yl]imino-2-(2-methylphenoxy)acetamide (CID 135604139) is N-[5-bromo-1-[(2-chlorophenyl)methyl]-2-hydroxyindol-3-yl]imino-2-(2-methylphenoxy)acetamide.
What is the SMILES notation for N-[5-bromo-1-[(2-chlorophenyl)methyl]-2-hydroxyindol-3-yl]imino-2-(2-methylphenoxy)acetamide?
The canonical SMILES for N-[5-bromo-1-[(2-chlorophenyl)methyl]-2-hydroxyindol-3-yl]imino-2-(2-methylphenoxy)acetamide is Cc1ccccc1OCC(=O)/N=N/c1c(O)n(Cc2ccccc2Cl)c2ccc(Br)cc12.
What is the InChIKey of N-[5-bromo-1-[(2-chlorophenyl)methyl]-2-hydroxyindol-3-yl]imino-2-(2-methylphenoxy)acetamide?
The InChIKey is CZJWDSXZICXSGO-BYYHNAKLSA-N. The full InChI is InChI=1S/C24H19BrClN3O3/c1-15-6-2-5-9-21(15)32-14-22(30)27-28-23-18-12-17(25)10-11-20(18)29(24(23)31)13-16-7-3-4-8-19(16)26/h2-12,31H,13-14H2,1H3/b28-27+.
What are the key properties of N-[5-bromo-1-[(2-chlorophenyl)methyl]-2-hydroxyindol-3-yl]imino-2-(2-methylphenoxy)acetamide?
N-[5-bromo-1-[(2-chlorophenyl)methyl]-2-hydroxyindol-3-yl]imino-2-(2-methylphenoxy)acetamide has a molecular weight of 512.79 g/mol, XLogP of 6.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-bromo-1-[(2-chlorophenyl)methyl]-2-hydroxyindol-3-yl]imino-2-(2-methylphenoxy)acetamide is sourced from PubChem (CID 135604139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).