N-(4-bromo-2,5-difluorophenyl)-2,3-dihydro-1H-indole-3-carboxamide

C15H11BrF2N2O — CID 107611758

IUPACN-(4-bromo-2,5-difluorophenyl)-2,3-dihydro-1H-indole-3-carboxamide
SMILESO=C(Nc1cc(F)c(Br)cc1F)C1CNc2ccccc21
InChIInChI=1S/C15H11BrF2N2O/c16-10-5-12(18)14(6-11(10)17)20-15(21)9-7-19-13-4-2-1-3-8(9)13/h1-6,9,19H,7H2,(H,20,21)
InChIKeyGGULWUNYGOPDSX-UHFFFAOYSA-N
MW353.17 g/mol
LogP3.88
Rot. Bonds2

About N-(4-bromo-2,5-difluorophenyl)-2,3-dihydro-1H-indole-3-carboxamide

N-(4-bromo-2,5-difluorophenyl)-2,3-dihydro-1H-indole-3-carboxamide (PubChem CID 107611758) has the molecular formula C15H11BrF2N2O and a molecular weight of 353.17 g/mol. Its IUPAC name is N-(4-bromo-2,5-difluorophenyl)-2,3-dihydro-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2,5-difluorophenyl)-2,3-dihydro-1H-indole-3-carboxamide
PubChem CID107611758
Molecular FormulaC15H11BrF2N2O
Molecular Weight353.17 g/mol
Exact Mass352.00
IUPAC NameN-(4-bromo-2,5-difluorophenyl)-2,3-dihydro-1H-indole-3-carboxamide
SMILESO=C(Nc1cc(F)c(Br)cc1F)C1CNc2ccccc21
InChIInChI=1S/C15H11BrF2N2O/c16-10-5-12(18)14(6-11(10)17)20-15(21)9-7-19-13-4-2-1-3-8(9)13/h1-6,9,19H,7H2,(H,20,21)
InChIKeyGGULWUNYGOPDSX-UHFFFAOYSA-N
XLogP3.88
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.17
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-(2-fluorophenyl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80566014
N-(2-bromo-5-fluorophenyl)-2,3-dihydro-1H-indole-3-carboxamide
CID 107625638
N-(4-bromo-2-chlorophenyl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80565893
N-(3-fluoro-5-methylphenyl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80567216
N-(3-bromophenyl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80565871
N-(4-fluoro-3-methylphenyl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80566409
N-(2-ethylphenyl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80565911
N-(3-bromo-2-pyridinyl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80567176
N-(2-ethoxyphenyl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80566121
N-pyrimidin-5-yl-2,3-dihydro-1H-indole-3-carboxamide
CID 107588629
N-(2,4-difluorophenyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65260739
N-[3-(hydroxymethyl)phenyl]-2,3-dihydro-1H-indole-3-carboxamide
CID 80565407

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,5-difluorophenyl)-2,3-dihydro-1H-indole-3-carboxamide?
The IUPAC name of N-(4-bromo-2,5-difluorophenyl)-2,3-dihydro-1H-indole-3-carboxamide (CID 107611758) is N-(4-bromo-2,5-difluorophenyl)-2,3-dihydro-1H-indole-3-carboxamide.
What is the SMILES notation for N-(4-bromo-2,5-difluorophenyl)-2,3-dihydro-1H-indole-3-carboxamide?
The canonical SMILES for N-(4-bromo-2,5-difluorophenyl)-2,3-dihydro-1H-indole-3-carboxamide is O=C(Nc1cc(F)c(Br)cc1F)C1CNc2ccccc21.
What is the InChIKey of N-(4-bromo-2,5-difluorophenyl)-2,3-dihydro-1H-indole-3-carboxamide?
The InChIKey is GGULWUNYGOPDSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrF2N2O/c16-10-5-12(18)14(6-11(10)17)20-15(21)9-7-19-13-4-2-1-3-8(9)13/h1-6,9,19H,7H2,(H,20,21).
What are the key properties of N-(4-bromo-2,5-difluorophenyl)-2,3-dihydro-1H-indole-3-carboxamide?
N-(4-bromo-2,5-difluorophenyl)-2,3-dihydro-1H-indole-3-carboxamide has a molecular weight of 353.17 g/mol, XLogP of 3.88, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,5-difluorophenyl)-2,3-dihydro-1H-indole-3-carboxamide is sourced from PubChem (CID 107611758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).