6-amino-N-(3-bromophenyl)-1H-indole-3-carboxamide

C15H12BrN3O — CID 61092255

IUPAC6-amino-N-(3-bromophenyl)-1H-indole-3-carboxamide
SMILESNc1ccc2c(C(=O)Nc3cccc(Br)c3)c[nH]c2c1
InChIInChI=1S/C15H12BrN3O/c16-9-2-1-3-11(6-9)19-15(20)13-8-18-14-7-10(17)4-5-12(13)14/h1-8,18H,17H2,(H,19,20)
InChIKeyNZOJEXXGNOYYAL-UHFFFAOYSA-N
MW330.19 g/mol
LogP3.76
Rot. Bonds2

About 6-amino-N-(3-bromophenyl)-1H-indole-3-carboxamide

6-amino-N-(3-bromophenyl)-1H-indole-3-carboxamide (PubChem CID 61092255) has the molecular formula C15H12BrN3O and a molecular weight of 330.19 g/mol. Its IUPAC name is 6-amino-N-(3-bromophenyl)-1H-indole-3-carboxamide.

Molecular Properties

Compound Name6-amino-N-(3-bromophenyl)-1H-indole-3-carboxamide
PubChem CID61092255
Molecular FormulaC15H12BrN3O
Molecular Weight330.19 g/mol
Exact Mass329.02
IUPAC Name6-amino-N-(3-bromophenyl)-1H-indole-3-carboxamide
SMILESNc1ccc2c(C(=O)Nc3cccc(Br)c3)c[nH]c2c1
InChIInChI=1S/C15H12BrN3O/c16-9-2-1-3-11(6-9)19-15(20)13-8-18-14-7-10(17)4-5-12(13)14/h1-8,18H,17H2,(H,19,20)
InChIKeyNZOJEXXGNOYYAL-UHFFFAOYSA-N
XLogP3.76
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.19
LogP ≤ 53.76
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

6-amino-N-phenyl-1H-indole-3-carboxamide;hydrochloride
CID 71938706
5-amino-N-(3-hydroxyphenyl)-1H-indole-3-carboxamide
CID 63116812
6-amino-N-(4-methylsulfanylphenyl)-1H-indole-3-carboxamide
CID 61092128
5-amino-N-phenyl-1H-indole-3-carboxamide
CID 63116510
6-amino-N-(6-methyl-2-pyridinyl)-1H-indole-3-carboxamide
CID 61095295
N-(3-bromophenyl)-6-fluoro-4-oxo-1H-quinoline-3-carboxamide
CID 39849718
5-amino-N-(2,6-dibromophenyl)-1H-indole-3-carboxamide
CID 107596138
6-amino-N-(1H-imidazol-2-yl)-1H-indole-3-carboxamide
CID 63562915
5-amino-N-(3-bromophenyl)-2-nitrobenzamide
CID 62154023
6-amino-N-(2-methoxyphenyl)-1H-indole-3-carboxamide
CID 61089726
6-amino-N-(5-bromo-4-methyl-2-pyridinyl)-1H-indole-3-carboxamide
CID 79735745
6-amino-N-(6-oxo-1H-pyridazin-3-yl)-1H-indole-3-carboxamide
CID 116786077

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(3-bromophenyl)-1H-indole-3-carboxamide?
The IUPAC name of 6-amino-N-(3-bromophenyl)-1H-indole-3-carboxamide (CID 61092255) is 6-amino-N-(3-bromophenyl)-1H-indole-3-carboxamide.
What is the SMILES notation for 6-amino-N-(3-bromophenyl)-1H-indole-3-carboxamide?
The canonical SMILES for 6-amino-N-(3-bromophenyl)-1H-indole-3-carboxamide is Nc1ccc2c(C(=O)Nc3cccc(Br)c3)c[nH]c2c1.
What is the InChIKey of 6-amino-N-(3-bromophenyl)-1H-indole-3-carboxamide?
The InChIKey is NZOJEXXGNOYYAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN3O/c16-9-2-1-3-11(6-9)19-15(20)13-8-18-14-7-10(17)4-5-12(13)14/h1-8,18H,17H2,(H,19,20).
What are the key properties of 6-amino-N-(3-bromophenyl)-1H-indole-3-carboxamide?
6-amino-N-(3-bromophenyl)-1H-indole-3-carboxamide has a molecular weight of 330.19 g/mol, XLogP of 3.76, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(3-bromophenyl)-1H-indole-3-carboxamide is sourced from PubChem (CID 61092255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).