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

C15H12BrFN2O — CID 107600018

IUPACN-(2-bromo-6-fluorophenyl)-2,3-dihydro-1H-indole-6-carboxamide
SMILESO=C(Nc1c(F)cccc1Br)c1ccc2c(c1)NCC2
InChIInChI=1S/C15H12BrFN2O/c16-11-2-1-3-12(17)14(11)19-15(20)10-5-4-9-6-7-18-13(9)8-10/h1-5,8,18H,6-7H2,(H,19,20)
InChIKeyHJSMMEAGLGGGCT-UHFFFAOYSA-N
MW335.18 g/mol
LogP3.81
Rot. Bonds2

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

N-(2-bromo-6-fluorophenyl)-2,3-dihydro-1H-indole-6-carboxamide (PubChem CID 107600018) has the molecular formula C15H12BrFN2O and a molecular weight of 335.18 g/mol. Its IUPAC name is N-(2-bromo-6-fluorophenyl)-2,3-dihydro-1H-indole-6-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-6-fluorophenyl)-2,3-dihydro-1H-indole-6-carboxamide
PubChem CID107600018
Molecular FormulaC15H12BrFN2O
Molecular Weight335.18 g/mol
Exact Mass334.01
IUPAC NameN-(2-bromo-6-fluorophenyl)-2,3-dihydro-1H-indole-6-carboxamide
SMILESO=C(Nc1c(F)cccc1Br)c1ccc2c(c1)NCC2
InChIInChI=1S/C15H12BrFN2O/c16-11-2-1-3-12(17)14(11)19-15(20)10-5-4-9-6-7-18-13(9)8-10/h1-5,8,18H,6-7H2,(H,19,20)
InChIKeyHJSMMEAGLGGGCT-UHFFFAOYSA-N
XLogP3.81
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.18
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-bromo-2-methylphenyl)-2,3-dihydro-1H-indole-6-carboxamide
CID 107625093
N-(2-bromo-6-fluorophenyl)-4-fluorobenzamide
CID 103741284
N-(3-benzamidophenyl)-2,3-dihydro-1H-indole-6-carboxamide
CID 143229213
3-amino-N-(2-bromo-6-fluorophenyl)-4-chlorobenzamide
CID 107596191
N-(2-bromo-6-fluorophenyl)-3-chloro-4-hydroxybenzamide
CID 107600810
N-(2-bromophenyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 43325607
N-(2-bromo-6-fluorophenyl)-3-chloro-4-iodobenzamide
CID 107600677
3,5-diamino-N-(2-bromo-6-fluorophenyl)benzamide
CID 107596194
N-(2-bromo-6-fluorophenyl)-3H-benzimidazole-5-carboxamide
CID 107602612
N-(3-bromo-2-methylphenyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 104938285
N-(2,6-difluorophenyl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103997882
3-amino-N-(2-bromo-6-fluorophenyl)-4-(dimethylamino)benzamide
CID 107596229

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-6-fluorophenyl)-2,3-dihydro-1H-indole-6-carboxamide?
The IUPAC name of N-(2-bromo-6-fluorophenyl)-2,3-dihydro-1H-indole-6-carboxamide (CID 107600018) is N-(2-bromo-6-fluorophenyl)-2,3-dihydro-1H-indole-6-carboxamide.
What is the SMILES notation for N-(2-bromo-6-fluorophenyl)-2,3-dihydro-1H-indole-6-carboxamide?
The canonical SMILES for N-(2-bromo-6-fluorophenyl)-2,3-dihydro-1H-indole-6-carboxamide is O=C(Nc1c(F)cccc1Br)c1ccc2c(c1)NCC2.
What is the InChIKey of N-(2-bromo-6-fluorophenyl)-2,3-dihydro-1H-indole-6-carboxamide?
The InChIKey is HJSMMEAGLGGGCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrFN2O/c16-11-2-1-3-12(17)14(11)19-15(20)10-5-4-9-6-7-18-13(9)8-10/h1-5,8,18H,6-7H2,(H,19,20).
What are the key properties of N-(2-bromo-6-fluorophenyl)-2,3-dihydro-1H-indole-6-carboxamide?
N-(2-bromo-6-fluorophenyl)-2,3-dihydro-1H-indole-6-carboxamide has a molecular weight of 335.18 g/mol, XLogP of 3.81, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-6-fluorophenyl)-2,3-dihydro-1H-indole-6-carboxamide is sourced from PubChem (CID 107600018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).