N-(2-bromo-6-fluorophenyl)-1H-indole-3-carboxamide

C15H10BrFN2O — CID 107602604

IUPACN-(2-bromo-6-fluorophenyl)-1H-indole-3-carboxamide
SMILESO=C(Nc1c(F)cccc1Br)c1c[nH]c2ccccc12
InChIInChI=1S/C15H10BrFN2O/c16-11-5-3-6-12(17)14(11)19-15(20)10-8-18-13-7-2-1-4-9(10)13/h1-8,18H,(H,19,20)
InChIKeyGWRULLIYHYZWNG-UHFFFAOYSA-N
MW333.16 g/mol
LogP4.32
Rot. Bonds2

About N-(2-bromo-6-fluorophenyl)-1H-indole-3-carboxamide

N-(2-bromo-6-fluorophenyl)-1H-indole-3-carboxamide (PubChem CID 107602604) has the molecular formula C15H10BrFN2O and a molecular weight of 333.16 g/mol. Its IUPAC name is N-(2-bromo-6-fluorophenyl)-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-6-fluorophenyl)-1H-indole-3-carboxamide
PubChem CID107602604
Molecular FormulaC15H10BrFN2O
Molecular Weight333.16 g/mol
Exact Mass332.00
IUPAC NameN-(2-bromo-6-fluorophenyl)-1H-indole-3-carboxamide
SMILESO=C(Nc1c(F)cccc1Br)c1c[nH]c2ccccc12
InChIInChI=1S/C15H10BrFN2O/c16-11-5-3-6-12(17)14(11)19-15(20)10-8-18-13-7-2-1-4-9(10)13/h1-8,18H,(H,19,20)
InChIKeyGWRULLIYHYZWNG-UHFFFAOYSA-N
XLogP4.32
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.16
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-bromo-6-fluorophenyl)-2,3-difluorobenzamide
CID 103741269
N-(2,6-diethylphenyl)-1H-indole-3-carboxamide
CID 113205558
N-(2-bromo-6-fluorophenyl)-2-(methylamino)benzamide
CID 107601184
5-amino-N-(2,6-dibromophenyl)-1H-indole-3-carboxamide
CID 107596138
N-(4-bromophenyl)-1H-indole-3-carboxamide
CID 43082523
(2,3-difluorophenyl)-(1H-indol-3-yl)methanone
CID 62648503
N-(2-bromo-6-fluorophenyl)-4-fluorobenzamide
CID 103741284
N-(2-bromo-3-chlorophenyl)-1H-indole-3-carboxamide
CID 103479873
N-(2-bromo-6-fluorophenyl)-2-fluoro-4-hydroxybenzamide
CID 107676888
N-(2-hydroxyphenyl)-1H-indole-3-carboxamide
CID 57210773
N-(3,5-dimethylphenyl)-1H-indole-3-carboxamide
CID 43399253
2-bromo-N-(2-bromo-6-fluorophenyl)-4-chlorobenzamide
CID 103765558

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-6-fluorophenyl)-1H-indole-3-carboxamide?
The IUPAC name of N-(2-bromo-6-fluorophenyl)-1H-indole-3-carboxamide (CID 107602604) is N-(2-bromo-6-fluorophenyl)-1H-indole-3-carboxamide.
What is the SMILES notation for N-(2-bromo-6-fluorophenyl)-1H-indole-3-carboxamide?
The canonical SMILES for N-(2-bromo-6-fluorophenyl)-1H-indole-3-carboxamide is O=C(Nc1c(F)cccc1Br)c1c[nH]c2ccccc12.
What is the InChIKey of N-(2-bromo-6-fluorophenyl)-1H-indole-3-carboxamide?
The InChIKey is GWRULLIYHYZWNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrFN2O/c16-11-5-3-6-12(17)14(11)19-15(20)10-8-18-13-7-2-1-4-9(10)13/h1-8,18H,(H,19,20).
What are the key properties of N-(2-bromo-6-fluorophenyl)-1H-indole-3-carboxamide?
N-(2-bromo-6-fluorophenyl)-1H-indole-3-carboxamide has a molecular weight of 333.16 g/mol, XLogP of 4.32, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-6-fluorophenyl)-1H-indole-3-carboxamide is sourced from PubChem (CID 107602604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).