N-(6-bromo-3-oxo-1,2-dihydroindol-2-yl)-1H-indole-2-carboxamide

C17H12BrN3O2 — CID 146560642

IUPACN-(6-bromo-3-oxo-1,2-dihydroindol-2-yl)-1H-indole-2-carboxamide
SMILESO=C(NC1Nc2cc(Br)ccc2C1=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C17H12BrN3O2/c18-10-5-6-11-13(8-10)20-16(15(11)22)21-17(23)14-7-9-3-1-2-4-12(9)19-14/h1-8,16,19-20H,(H,21,23)
InChIKeyWKJMEDFGJSABJY-UHFFFAOYSA-N
MW370.21 g/mol
LogP3.29
Rot. Bonds2

About N-(6-bromo-3-oxo-1,2-dihydroindol-2-yl)-1H-indole-2-carboxamide

N-(6-bromo-3-oxo-1,2-dihydroindol-2-yl)-1H-indole-2-carboxamide (PubChem CID 146560642) has the molecular formula C17H12BrN3O2 and a molecular weight of 370.21 g/mol. Its IUPAC name is N-(6-bromo-3-oxo-1,2-dihydroindol-2-yl)-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(6-bromo-3-oxo-1,2-dihydroindol-2-yl)-1H-indole-2-carboxamide
PubChem CID146560642
Molecular FormulaC17H12BrN3O2
Molecular Weight370.21 g/mol
Exact Mass369.01
IUPAC NameN-(6-bromo-3-oxo-1,2-dihydroindol-2-yl)-1H-indole-2-carboxamide
SMILESO=C(NC1Nc2cc(Br)ccc2C1=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C17H12BrN3O2/c18-10-5-6-11-13(8-10)20-16(15(11)22)21-17(23)14-7-9-3-1-2-4-12(9)19-14/h1-8,16,19-20H,(H,21,23)
InChIKeyWKJMEDFGJSABJY-UHFFFAOYSA-N
XLogP3.29
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.21
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(8-azabicyclo[3.2.1]octan-3-yl)-1H-indole-2-carboxamide
CID 61237731
N-(4-aminocyclohexyl)-1H-indole-2-carboxamide
CID 62318715
N-[(4-bromophenyl)methyl]-1H-indole-2-carboxamide
CID 46921176
N-(4-bromo-2-pyridinyl)-1H-indole-2-carboxamide
CID 102674192
N-(3-methylcyclopentyl)-1H-indole-2-carboxamide
CID 114550625
N-[(2R)-7-azabicyclo[2.2.1]heptan-2-yl]-1H-indole-2-carboxamide;hydrochloride
CID 159732987
potassium N-oxido-1H-indole-2-carboxamide
CID 23661896
N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-indole-2-carboxamide;hydrochloride
CID 141145124
N-(3,4-dimethylcyclohexyl)-1H-indole-2-carboxamide
CID 64742784
N-(dicyclopropylmethyl)-1H-indole-2-carboxamide
CID 47143820
N-(2,4-dimethylcyclohexyl)-1H-indole-2-carboxamide
CID 63998403
N-(1-methylpyrrolidin-3-yl)-1H-indole-2-carboxamide
CID 61344606

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-3-oxo-1,2-dihydroindol-2-yl)-1H-indole-2-carboxamide?
The IUPAC name of N-(6-bromo-3-oxo-1,2-dihydroindol-2-yl)-1H-indole-2-carboxamide (CID 146560642) is N-(6-bromo-3-oxo-1,2-dihydroindol-2-yl)-1H-indole-2-carboxamide.
What is the SMILES notation for N-(6-bromo-3-oxo-1,2-dihydroindol-2-yl)-1H-indole-2-carboxamide?
The canonical SMILES for N-(6-bromo-3-oxo-1,2-dihydroindol-2-yl)-1H-indole-2-carboxamide is O=C(NC1Nc2cc(Br)ccc2C1=O)c1cc2ccccc2[nH]1.
What is the InChIKey of N-(6-bromo-3-oxo-1,2-dihydroindol-2-yl)-1H-indole-2-carboxamide?
The InChIKey is WKJMEDFGJSABJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrN3O2/c18-10-5-6-11-13(8-10)20-16(15(11)22)21-17(23)14-7-9-3-1-2-4-12(9)19-14/h1-8,16,19-20H,(H,21,23).
What are the key properties of N-(6-bromo-3-oxo-1,2-dihydroindol-2-yl)-1H-indole-2-carboxamide?
N-(6-bromo-3-oxo-1,2-dihydroindol-2-yl)-1H-indole-2-carboxamide has a molecular weight of 370.21 g/mol, XLogP of 3.29, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-3-oxo-1,2-dihydroindol-2-yl)-1H-indole-2-carboxamide is sourced from PubChem (CID 146560642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).