N-[(3,4-dibromophenyl)methylideneamino]-2-(1H-indol-3-yl)acetamide

C17H13Br2N3O — CID 6736385

IUPACN-[(3,4-dibromophenyl)methylideneamino]-2-(1H-indol-3-yl)acetamide
SMILESO=C(Cc1c[nH]c2ccccc12)NN=Cc1ccc(Br)c(Br)c1
InChIInChI=1S/C17H13Br2N3O/c18-14-6-5-11(7-15(14)19)9-21-22-17(23)8-12-10-20-16-4-2-1-3-13(12)16/h1-7,9-10,20H,8H2,(H,22,23)
InChIKeyIVRLTUJFIBBYNQ-UHFFFAOYSA-N
MW435.12 g/mol
LogP4.39
Rot. Bonds4

About N-[(3,4-dibromophenyl)methylideneamino]-2-(1H-indol-3-yl)acetamide

N-[(3,4-dibromophenyl)methylideneamino]-2-(1H-indol-3-yl)acetamide (PubChem CID 6736385) has the molecular formula C17H13Br2N3O and a molecular weight of 435.12 g/mol. Its IUPAC name is N-[(3,4-dibromophenyl)methylideneamino]-2-(1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-[(3,4-dibromophenyl)methylideneamino]-2-(1H-indol-3-yl)acetamide
PubChem CID6736385
Molecular FormulaC17H13Br2N3O
Molecular Weight435.12 g/mol
Exact Mass432.94
IUPAC NameN-[(3,4-dibromophenyl)methylideneamino]-2-(1H-indol-3-yl)acetamide
SMILESO=C(Cc1c[nH]c2ccccc12)NN=Cc1ccc(Br)c(Br)c1
InChIInChI=1S/C17H13Br2N3O/c18-14-6-5-11(7-15(14)19)9-21-22-17(23)8-12-10-20-16-4-2-1-3-13(12)16/h1-7,9-10,20H,8H2,(H,22,23)
InChIKeyIVRLTUJFIBBYNQ-UHFFFAOYSA-N
XLogP4.39
TPSA57.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.12
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-(4-bromophenyl)methylideneamino]-2-(1H-indol-3-yl)acetamide
CID 5371768
N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-(1H-indol-3-yl)acetamide
CID 136627449
2-(1H-indol-3-yl)-N-[(E)-(4-nitrosophenyl)methylideneamino]acetamide
CID 143326661
N-[(Z)-(3-chlorophenyl)methylideneamino]-2-(1H-indol-3-yl)acetamide
CID 42034300
2-(1H-indol-3-yl)-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]acetamide
CID 90481709
N-[(Z)-(2,4-dimethylphenyl)methylideneamino]-2-(1H-indol-3-yl)acetamide
CID 5411943
N-[(E)-(5-bromo-2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(1H-indol-3-yl)acetamide
CID 135804145
N-[(4-fluorophenyl)methylideneamino]-3-(1H-indol-3-yl)propanamide
CID 74816610
N-hydroxy-2-(1H-indol-3-yl)acetamide
CID 13058633
N-[(5-bromo-1H-indol-3-yl)methylideneamino]-2-naphthalen-1-ylacetamide
CID 5074421
N-[(E)-1H-indol-3-ylmethylideneamino]-N'-[(Z)-1H-indol-3-ylmethylideneamino]butanediamide
CID 136861417
N-[(E)-1H-indol-3-ylmethylideneamino]-2-(4-methylphenyl)acetamide
CID 172980542

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dibromophenyl)methylideneamino]-2-(1H-indol-3-yl)acetamide?
The IUPAC name of N-[(3,4-dibromophenyl)methylideneamino]-2-(1H-indol-3-yl)acetamide (CID 6736385) is N-[(3,4-dibromophenyl)methylideneamino]-2-(1H-indol-3-yl)acetamide.
What is the SMILES notation for N-[(3,4-dibromophenyl)methylideneamino]-2-(1H-indol-3-yl)acetamide?
The canonical SMILES for N-[(3,4-dibromophenyl)methylideneamino]-2-(1H-indol-3-yl)acetamide is O=C(Cc1c[nH]c2ccccc12)NN=Cc1ccc(Br)c(Br)c1.
What is the InChIKey of N-[(3,4-dibromophenyl)methylideneamino]-2-(1H-indol-3-yl)acetamide?
The InChIKey is IVRLTUJFIBBYNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Br2N3O/c18-14-6-5-11(7-15(14)19)9-21-22-17(23)8-12-10-20-16-4-2-1-3-13(12)16/h1-7,9-10,20H,8H2,(H,22,23).
What are the key properties of N-[(3,4-dibromophenyl)methylideneamino]-2-(1H-indol-3-yl)acetamide?
N-[(3,4-dibromophenyl)methylideneamino]-2-(1H-indol-3-yl)acetamide has a molecular weight of 435.12 g/mol, XLogP of 4.39, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dibromophenyl)methylideneamino]-2-(1H-indol-3-yl)acetamide is sourced from PubChem (CID 6736385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).