N-(5-bromo-2-hydroxy-1,7-dimethylindol-3-yl)imino-2-(4-methoxyphenoxy)acetamide

C19H18BrN3O4 — CID 1243521

IUPACN-(5-bromo-2-hydroxy-1,7-dimethylindol-3-yl)imino-2-(4-methoxyphenoxy)acetamide
SMILESCOc1ccc(OCC(=O)/N=N/c2c(O)n(C)c3c(C)cc(Br)cc23)cc1
InChIInChI=1S/C19H18BrN3O4/c1-11-8-12(20)9-15-17(19(25)23(2)18(11)15)22-21-16(24)10-27-14-6-4-13(26-3)5-7-14/h4-9,25H,10H2,1-3H3/b22-21+
InChIKeySWWMHPNISLDRCX-QURGRASLSA-N
MW432.27 g/mol
LogP4.65
Rot. Bonds5

About N-(5-bromo-2-hydroxy-1,7-dimethylindol-3-yl)imino-2-(4-methoxyphenoxy)acetamide

N-(5-bromo-2-hydroxy-1,7-dimethylindol-3-yl)imino-2-(4-methoxyphenoxy)acetamide (PubChem CID 1243521) has the molecular formula C19H18BrN3O4 and a molecular weight of 432.27 g/mol. Its IUPAC name is N-(5-bromo-2-hydroxy-1,7-dimethylindol-3-yl)imino-2-(4-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-(5-bromo-2-hydroxy-1,7-dimethylindol-3-yl)imino-2-(4-methoxyphenoxy)acetamide
PubChem CID1243521
Molecular FormulaC19H18BrN3O4
Molecular Weight432.27 g/mol
Exact Mass431.05
IUPAC NameN-(5-bromo-2-hydroxy-1,7-dimethylindol-3-yl)imino-2-(4-methoxyphenoxy)acetamide
SMILESCOc1ccc(OCC(=O)/N=N/c2c(O)n(C)c3c(C)cc(Br)cc23)cc1
InChIInChI=1S/C19H18BrN3O4/c1-11-8-12(20)9-15-17(19(25)23(2)18(11)15)22-21-16(24)10-27-14-6-4-13(26-3)5-7-14/h4-9,25H,10H2,1-3H3/b22-21+
InChIKeySWWMHPNISLDRCX-QURGRASLSA-N
XLogP4.65
TPSA85.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.27
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-1,7-dimethylindol-3-yl)imino-2-(4-methoxyphenoxy)acetamide?
The IUPAC name of N-(5-bromo-2-hydroxy-1,7-dimethylindol-3-yl)imino-2-(4-methoxyphenoxy)acetamide (CID 1243521) is N-(5-bromo-2-hydroxy-1,7-dimethylindol-3-yl)imino-2-(4-methoxyphenoxy)acetamide.
What is the SMILES notation for N-(5-bromo-2-hydroxy-1,7-dimethylindol-3-yl)imino-2-(4-methoxyphenoxy)acetamide?
The canonical SMILES for N-(5-bromo-2-hydroxy-1,7-dimethylindol-3-yl)imino-2-(4-methoxyphenoxy)acetamide is COc1ccc(OCC(=O)/N=N/c2c(O)n(C)c3c(C)cc(Br)cc23)cc1.
What is the InChIKey of N-(5-bromo-2-hydroxy-1,7-dimethylindol-3-yl)imino-2-(4-methoxyphenoxy)acetamide?
The InChIKey is SWWMHPNISLDRCX-QURGRASLSA-N. The full InChI is InChI=1S/C19H18BrN3O4/c1-11-8-12(20)9-15-17(19(25)23(2)18(11)15)22-21-16(24)10-27-14-6-4-13(26-3)5-7-14/h4-9,25H,10H2,1-3H3/b22-21+.
What are the key properties of N-(5-bromo-2-hydroxy-1,7-dimethylindol-3-yl)imino-2-(4-methoxyphenoxy)acetamide?
N-(5-bromo-2-hydroxy-1,7-dimethylindol-3-yl)imino-2-(4-methoxyphenoxy)acetamide has a molecular weight of 432.27 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-hydroxy-1,7-dimethylindol-3-yl)imino-2-(4-methoxyphenoxy)acetamide is sourced from PubChem (CID 1243521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).