5-amino-N-(2,6-dibromophenyl)-1H-indole-3-carboxamide

C15H11Br2N3O — CID 107596138

IUPAC5-amino-N-(2,6-dibromophenyl)-1H-indole-3-carboxamide
SMILESNc1ccc2[nH]cc(C(=O)Nc3c(Br)cccc3Br)c2c1
InChIInChI=1S/C15H11Br2N3O/c16-11-2-1-3-12(17)14(11)20-15(21)10-7-19-13-5-4-8(18)6-9(10)13/h1-7,19H,18H2,(H,20,21)
InChIKeyOPFDMCXYJMNKDD-UHFFFAOYSA-N
MW409.08 g/mol
LogP4.53
Rot. Bonds2

About 5-amino-N-(2,6-dibromophenyl)-1H-indole-3-carboxamide

5-amino-N-(2,6-dibromophenyl)-1H-indole-3-carboxamide (PubChem CID 107596138) has the molecular formula C15H11Br2N3O and a molecular weight of 409.08 g/mol. Its IUPAC name is 5-amino-N-(2,6-dibromophenyl)-1H-indole-3-carboxamide.

Molecular Properties

Compound Name5-amino-N-(2,6-dibromophenyl)-1H-indole-3-carboxamide
PubChem CID107596138
Molecular FormulaC15H11Br2N3O
Molecular Weight409.08 g/mol
Exact Mass406.93
IUPAC Name5-amino-N-(2,6-dibromophenyl)-1H-indole-3-carboxamide
SMILESNc1ccc2[nH]cc(C(=O)Nc3c(Br)cccc3Br)c2c1
InChIInChI=1S/C15H11Br2N3O/c16-11-2-1-3-12(17)14(11)20-15(21)10-7-19-13-5-4-8(18)6-9(10)13/h1-7,19H,18H2,(H,20,21)
InChIKeyOPFDMCXYJMNKDD-UHFFFAOYSA-N
XLogP4.53
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.08
LogP ≤ 54.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-N-(3-hydroxyphenyl)-1H-indole-3-carboxamide
CID 63116812
5-amino-N-phenyl-1H-indole-3-carboxamide
CID 63116510
5-amino-N-pyrimidin-2-yl-1H-indole-3-carboxamide
CID 63117023
5-amino-N-(2-bromo-4-methylphenyl)-1H-indole-3-carboxamide
CID 63116424
2,4-diamino-N-(2,6-dibromophenyl)benzamide
CID 107596119
5-amino-N-(2-chlorophenyl)-1H-indole-3-carboxamide
CID 63116419
N-(2-bromo-6-fluorophenyl)-1H-indole-3-carboxamide
CID 107602604
5-amino-N-(2-methylsulfanylphenyl)-1H-indole-3-carboxamide
CID 63116828
6-amino-N-(3-bromophenyl)-1H-indole-3-carboxamide
CID 61092255
5-amino-N-(3-hydroxy-4-methylphenyl)-1H-indole-3-carboxamide
CID 107699365
5-amino-1H-indole-3-carboxylate
CID 36690512
5-amino-N-(4-fluoro-3-methylphenyl)-1H-indole-3-carboxamide
CID 63117335

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2,6-dibromophenyl)-1H-indole-3-carboxamide?
The IUPAC name of 5-amino-N-(2,6-dibromophenyl)-1H-indole-3-carboxamide (CID 107596138) is 5-amino-N-(2,6-dibromophenyl)-1H-indole-3-carboxamide.
What is the SMILES notation for 5-amino-N-(2,6-dibromophenyl)-1H-indole-3-carboxamide?
The canonical SMILES for 5-amino-N-(2,6-dibromophenyl)-1H-indole-3-carboxamide is Nc1ccc2[nH]cc(C(=O)Nc3c(Br)cccc3Br)c2c1.
What is the InChIKey of 5-amino-N-(2,6-dibromophenyl)-1H-indole-3-carboxamide?
The InChIKey is OPFDMCXYJMNKDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Br2N3O/c16-11-2-1-3-12(17)14(11)20-15(21)10-7-19-13-5-4-8(18)6-9(10)13/h1-7,19H,18H2,(H,20,21).
What are the key properties of 5-amino-N-(2,6-dibromophenyl)-1H-indole-3-carboxamide?
5-amino-N-(2,6-dibromophenyl)-1H-indole-3-carboxamide has a molecular weight of 409.08 g/mol, XLogP of 4.53, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2,6-dibromophenyl)-1H-indole-3-carboxamide is sourced from PubChem (CID 107596138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).