N-(5,7-dibromo-2-hydroxy-1-methylindol-3-yl)imino-2-naphthalen-2-yloxyacetamide

C21H15Br2N3O3 — CID 3659038

IUPACN-(5,7-dibromo-2-hydroxy-1-methylindol-3-yl)imino-2-naphthalen-2-yloxyacetamide
SMILESCn1c(O)c(/N=N/C(=O)COc2ccc3ccccc3c2)c2cc(Br)cc(Br)c21
InChIInChI=1S/C21H15Br2N3O3/c1-26-20-16(9-14(22)10-17(20)23)19(21(26)28)25-24-18(27)11-29-15-7-6-12-4-2-3-5-13(12)8-15/h2-10,28H,11H2,1H3/b25-24+
InChIKeyNUHUIAMWDLJILW-OCOZRVBESA-N
MW517.18 g/mol
LogP6.25
Rot. Bonds4

About N-(5,7-dibromo-2-hydroxy-1-methylindol-3-yl)imino-2-naphthalen-2-yloxyacetamide

N-(5,7-dibromo-2-hydroxy-1-methylindol-3-yl)imino-2-naphthalen-2-yloxyacetamide (PubChem CID 3659038) has the molecular formula C21H15Br2N3O3 and a molecular weight of 517.18 g/mol. Its IUPAC name is N-(5,7-dibromo-2-hydroxy-1-methylindol-3-yl)imino-2-naphthalen-2-yloxyacetamide.

Molecular Properties

Compound NameN-(5,7-dibromo-2-hydroxy-1-methylindol-3-yl)imino-2-naphthalen-2-yloxyacetamide
PubChem CID3659038
Molecular FormulaC21H15Br2N3O3
Molecular Weight517.18 g/mol
Exact Mass514.95
IUPAC NameN-(5,7-dibromo-2-hydroxy-1-methylindol-3-yl)imino-2-naphthalen-2-yloxyacetamide
SMILESCn1c(O)c(/N=N/C(=O)COc2ccc3ccccc3c2)c2cc(Br)cc(Br)c21
InChIInChI=1S/C21H15Br2N3O3/c1-26-20-16(9-14(22)10-17(20)23)19(21(26)28)25-24-18(27)11-29-15-7-6-12-4-2-3-5-13(12)8-15/h2-10,28H,11H2,1H3/b25-24+
InChIKeyNUHUIAMWDLJILW-OCOZRVBESA-N
XLogP6.25
TPSA76.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.18
LogP ≤ 56.25
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-2-hydroxy-1-methylindol-3-yl)imino-2-naphthalen-2-yloxyacetamide
CID 1377579
N-[2-hydroxy-5-methyl-1-(2-methylpropyl)indol-3-yl]imino-2-naphthalen-2-yloxyacetamide
CID 4503009
5-bromo-7-methyl-1-(3-naphthalen-2-yloxypropyl)-3-nitrosoindol-2-ol
CID 135575157
N-(5-bromo-1-ethyl-2-hydroxyindol-3-yl)imino-2-(2-bromophenoxy)acetamide
CID 4635264
N-[1-[(4-bromophenyl)methyl]-2-hydroxyindol-3-yl]imino-2-(2-oxochromen-7-yl)oxyacetamide
CID 137179336
N-[2-hydroxy-1-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methyl]indol-3-yl]imino-2-naphthalen-2-yloxyacetamide
CID 5030424
N-[5-bromo-1-[(2-chlorophenyl)methyl]-2-hydroxyindol-3-yl]imino-2-phenoxyacetamide
CID 135726441
N-(1-ethyl-2-hydroxyindol-3-yl)imino-2-phenoxyacetamide
CID 963929
2-(2-bromophenoxy)-N-(2-hydroxy-5-methyl-1-propylindol-3-yl)iminoacetamide
CID 4501600
N-[(5-bromo-2-hydroxy-7-methyl-1H-indol-3-yl)imino]-2-(2-methylphenoxy)acetamide
CID 1126524
1-(2-bromophenyl)-2-naphthalen-2-yloxyethanone
CID 22123529
2-(3-bromophenoxy)-N-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]acetamide
CID 135775220

Frequently Asked Questions

What is the IUPAC name of N-(5,7-dibromo-2-hydroxy-1-methylindol-3-yl)imino-2-naphthalen-2-yloxyacetamide?
The IUPAC name of N-(5,7-dibromo-2-hydroxy-1-methylindol-3-yl)imino-2-naphthalen-2-yloxyacetamide (CID 3659038) is N-(5,7-dibromo-2-hydroxy-1-methylindol-3-yl)imino-2-naphthalen-2-yloxyacetamide.
What is the SMILES notation for N-(5,7-dibromo-2-hydroxy-1-methylindol-3-yl)imino-2-naphthalen-2-yloxyacetamide?
The canonical SMILES for N-(5,7-dibromo-2-hydroxy-1-methylindol-3-yl)imino-2-naphthalen-2-yloxyacetamide is Cn1c(O)c(/N=N/C(=O)COc2ccc3ccccc3c2)c2cc(Br)cc(Br)c21.
What is the InChIKey of N-(5,7-dibromo-2-hydroxy-1-methylindol-3-yl)imino-2-naphthalen-2-yloxyacetamide?
The InChIKey is NUHUIAMWDLJILW-OCOZRVBESA-N. The full InChI is InChI=1S/C21H15Br2N3O3/c1-26-20-16(9-14(22)10-17(20)23)19(21(26)28)25-24-18(27)11-29-15-7-6-12-4-2-3-5-13(12)8-15/h2-10,28H,11H2,1H3/b25-24+.
What are the key properties of N-(5,7-dibromo-2-hydroxy-1-methylindol-3-yl)imino-2-naphthalen-2-yloxyacetamide?
N-(5,7-dibromo-2-hydroxy-1-methylindol-3-yl)imino-2-naphthalen-2-yloxyacetamide has a molecular weight of 517.18 g/mol, XLogP of 6.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,7-dibromo-2-hydroxy-1-methylindol-3-yl)imino-2-naphthalen-2-yloxyacetamide is sourced from PubChem (CID 3659038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).