3-bromo-N-(4-bromophenyl)-1H-indole-2-carboxamide

C15H10Br2N2O — CID 47212938

IUPAC3-bromo-N-(4-bromophenyl)-1H-indole-2-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)c1[nH]c2ccccc2c1Br
InChIInChI=1S/C15H10Br2N2O/c16-9-5-7-10(8-6-9)18-15(20)14-13(17)11-3-1-2-4-12(11)19-14/h1-8,19H,(H,18,20)
InChIKeySFSSVKOKJCRQOC-UHFFFAOYSA-N
MW394.07 g/mol
LogP4.95
Rot. Bonds2

About 3-bromo-N-(4-bromophenyl)-1H-indole-2-carboxamide

3-bromo-N-(4-bromophenyl)-1H-indole-2-carboxamide (PubChem CID 47212938) has the molecular formula C15H10Br2N2O and a molecular weight of 394.07 g/mol. Its IUPAC name is 3-bromo-N-(4-bromophenyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-(4-bromophenyl)-1H-indole-2-carboxamide
PubChem CID47212938
Molecular FormulaC15H10Br2N2O
Molecular Weight394.07 g/mol
Exact Mass391.92
IUPAC Name3-bromo-N-(4-bromophenyl)-1H-indole-2-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)c1[nH]c2ccccc2c1Br
InChIInChI=1S/C15H10Br2N2O/c16-9-5-7-10(8-6-9)18-15(20)14-13(17)11-3-1-2-4-12(11)19-14/h1-8,19H,(H,18,20)
InChIKeySFSSVKOKJCRQOC-UHFFFAOYSA-N
XLogP4.95
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.07
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-acetamidophenyl)-3-bromo-1H-indole-2-carboxamide
CID 47037294
3-bromo-N-(4-propylphenyl)-1H-indole-2-carboxamide
CID 112827860
3-bromo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1H-indole-2-carboxamide
CID 60541866
3-bromo-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-1H-indole-2-carboxamide
CID 49422928
ethyl (E)-3-[4-[(3-bromo-1H-indole-2-carbonyl)amino]phenyl]prop-2-enoate
CID 94136409
3-bromo-N-[4-[3-(2,5-dioxoimidazolidin-1-yl)propanoylamino]phenyl]-1H-indole-2-carboxamide
CID 55965072
3-bromo-N-(2-oxochromen-6-yl)-1H-indole-2-carboxamide
CID 55978070
N-(4-bromophenyl)-1H-indole-3-carboxamide
CID 43082523
3-bromo-1H-indole-2-carboxylate
CID 2325687
2-[(3-bromo-1H-indole-2-carbonyl)amino]propanediamide
CID 47323201
3-bromo-N-[4-chloro-3-(diethylsulfamoyl)phenyl]-1H-indole-2-carboxamide
CID 55914989
N-[2-(benzylamino)-2-oxoethyl]-3-bromo-1H-indole-2-carboxamide
CID 55818483

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(4-bromophenyl)-1H-indole-2-carboxamide?
The IUPAC name of 3-bromo-N-(4-bromophenyl)-1H-indole-2-carboxamide (CID 47212938) is 3-bromo-N-(4-bromophenyl)-1H-indole-2-carboxamide.
What is the SMILES notation for 3-bromo-N-(4-bromophenyl)-1H-indole-2-carboxamide?
The canonical SMILES for 3-bromo-N-(4-bromophenyl)-1H-indole-2-carboxamide is O=C(Nc1ccc(Br)cc1)c1[nH]c2ccccc2c1Br.
What is the InChIKey of 3-bromo-N-(4-bromophenyl)-1H-indole-2-carboxamide?
The InChIKey is SFSSVKOKJCRQOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Br2N2O/c16-9-5-7-10(8-6-9)18-15(20)14-13(17)11-3-1-2-4-12(11)19-14/h1-8,19H,(H,18,20).
What are the key properties of 3-bromo-N-(4-bromophenyl)-1H-indole-2-carboxamide?
3-bromo-N-(4-bromophenyl)-1H-indole-2-carboxamide has a molecular weight of 394.07 g/mol, XLogP of 4.95, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(4-bromophenyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 47212938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).