N-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)imino]-2-(4-methoxyphenoxy)acetamide

C17H13Br2N3O4 — CID 1121962

IUPACN-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)imino]-2-(4-methoxyphenoxy)acetamide
SMILESCOc1ccc(OCC(=O)/N=N/c2c(O)[nH]c3c(Br)cc(Br)cc23)cc1
InChIInChI=1S/C17H13Br2N3O4/c1-25-10-2-4-11(5-3-10)26-8-14(23)21-22-16-12-6-9(18)7-13(19)15(12)20-17(16)24/h2-7,20,24H,8H2,1H3/b22-21+
InChIKeyRITBPAVKXAWDMS-QURGRASLSA-N
MW483.12 g/mol
LogP5.10
Rot. Bonds5

About N-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)imino]-2-(4-methoxyphenoxy)acetamide

N-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)imino]-2-(4-methoxyphenoxy)acetamide (PubChem CID 1121962) has the molecular formula C17H13Br2N3O4 and a molecular weight of 483.12 g/mol. Its IUPAC name is N-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)imino]-2-(4-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)imino]-2-(4-methoxyphenoxy)acetamide
PubChem CID1121962
Molecular FormulaC17H13Br2N3O4
Molecular Weight483.12 g/mol
Exact Mass480.93
IUPAC NameN-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)imino]-2-(4-methoxyphenoxy)acetamide
SMILESCOc1ccc(OCC(=O)/N=N/c2c(O)[nH]c3c(Br)cc(Br)cc23)cc1
InChIInChI=1S/C17H13Br2N3O4/c1-25-10-2-4-11(5-3-10)26-8-14(23)21-22-16-12-6-9(18)7-13(19)15(12)20-17(16)24/h2-7,20,24H,8H2,1H3/b22-21+
InChIKeyRITBPAVKXAWDMS-QURGRASLSA-N
XLogP5.10
TPSA96.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.12
LogP ≤ 55.10
H-Bond Donors ≤ 52
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

CID 2841404
CID 2841404
CID 4090679
CID 4090679
CID 135433228
CID 135433228
CID 135498012
CID 135498012
CID 1517574
CID 1517574
CID 137179329
CID 137179329
CID 460587
CID 460587
CID 555178
CID 555178
CID 619811
CID 619811
CID 460588
CID 460588
CID 749840
CID 749840
CID 1352045
CID 1352045

Frequently Asked Questions

What is the IUPAC name of N-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)imino]-2-(4-methoxyphenoxy)acetamide?
The IUPAC name of N-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)imino]-2-(4-methoxyphenoxy)acetamide (CID 1121962) is N-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)imino]-2-(4-methoxyphenoxy)acetamide.
What is the SMILES notation for N-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)imino]-2-(4-methoxyphenoxy)acetamide?
The canonical SMILES for N-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)imino]-2-(4-methoxyphenoxy)acetamide is COc1ccc(OCC(=O)/N=N/c2c(O)[nH]c3c(Br)cc(Br)cc23)cc1.
What is the InChIKey of N-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)imino]-2-(4-methoxyphenoxy)acetamide?
The InChIKey is RITBPAVKXAWDMS-QURGRASLSA-N. The full InChI is InChI=1S/C17H13Br2N3O4/c1-25-10-2-4-11(5-3-10)26-8-14(23)21-22-16-12-6-9(18)7-13(19)15(12)20-17(16)24/h2-7,20,24H,8H2,1H3/b22-21+.
What are the key properties of N-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)imino]-2-(4-methoxyphenoxy)acetamide?
N-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)imino]-2-(4-methoxyphenoxy)acetamide has a molecular weight of 483.12 g/mol, XLogP of 5.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)imino]-2-(4-methoxyphenoxy)acetamide is sourced from PubChem (CID 1121962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).