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

C15H9BrF2N2O — CID 102854713

IUPACN-(5-bromo-2,4-difluorophenyl)-1H-indole-2-carboxamide
SMILESO=C(Nc1cc(Br)c(F)cc1F)c1cc2ccccc2[nH]1
InChIInChI=1S/C15H9BrF2N2O/c16-9-6-13(11(18)7-10(9)17)20-15(21)14-5-8-3-1-2-4-12(8)19-14/h1-7,19H,(H,20,21)
InChIKeyANAOTLXXTHLYNH-UHFFFAOYSA-N
MW351.15 g/mol
LogP4.46
Rot. Bonds2

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

N-(5-bromo-2,4-difluorophenyl)-1H-indole-2-carboxamide (PubChem CID 102854713) has the molecular formula C15H9BrF2N2O and a molecular weight of 351.15 g/mol. Its IUPAC name is N-(5-bromo-2,4-difluorophenyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2,4-difluorophenyl)-1H-indole-2-carboxamide
PubChem CID102854713
Molecular FormulaC15H9BrF2N2O
Molecular Weight351.15 g/mol
Exact Mass349.99
IUPAC NameN-(5-bromo-2,4-difluorophenyl)-1H-indole-2-carboxamide
SMILESO=C(Nc1cc(Br)c(F)cc1F)c1cc2ccccc2[nH]1
InChIInChI=1S/C15H9BrF2N2O/c16-9-6-13(11(18)7-10(9)17)20-15(21)14-5-8-3-1-2-4-12(8)19-14/h1-7,19H,(H,20,21)
InChIKeyANAOTLXXTHLYNH-UHFFFAOYSA-N
XLogP4.46
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.15
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2-fluoro-5-methylphenyl)-1H-indole-2-carboxamide
CID 26699456
N-(2,3-difluorophenyl)-1H-indole-2-carboxamide
CID 61077035
6-bromo-N-(2-fluorophenyl)-1H-indole-2-carboxamide
CID 47155114
5-fluoro-2-(1H-indole-2-carbonylamino)benzoic acid
CID 43823307
N-(4-chloro-2-iodophenyl)-1H-indole-2-carboxamide
CID 103766830
4-bromo-N-(5-bromo-2,4-difluorophenyl)benzamide
CID 102848004
N-[2-(difluoromethoxy)phenyl]-1H-indole-2-carboxamide
CID 51145679
2-[(5-bromo-2,4-difluorophenyl)carbamoyl]benzoic acid
CID 102852549
N-(5-bromo-6-methyl-2-pyridinyl)-1H-indole-2-carboxamide
CID 79049257
N-(4-bromo-2-pyridinyl)-1H-indole-2-carboxamide
CID 102674192
N-(6-bromo-3-pyridinyl)-1H-indole-2-carboxamide
CID 103789422
N-(5-chloro-2-methoxyphenyl)-1H-indole-2-carboxamide
CID 9068762

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2,4-difluorophenyl)-1H-indole-2-carboxamide?
The IUPAC name of N-(5-bromo-2,4-difluorophenyl)-1H-indole-2-carboxamide (CID 102854713) is N-(5-bromo-2,4-difluorophenyl)-1H-indole-2-carboxamide.
What is the SMILES notation for N-(5-bromo-2,4-difluorophenyl)-1H-indole-2-carboxamide?
The canonical SMILES for N-(5-bromo-2,4-difluorophenyl)-1H-indole-2-carboxamide is O=C(Nc1cc(Br)c(F)cc1F)c1cc2ccccc2[nH]1.
What is the InChIKey of N-(5-bromo-2,4-difluorophenyl)-1H-indole-2-carboxamide?
The InChIKey is ANAOTLXXTHLYNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrF2N2O/c16-9-6-13(11(18)7-10(9)17)20-15(21)14-5-8-3-1-2-4-12(8)19-14/h1-7,19H,(H,20,21).
What are the key properties of N-(5-bromo-2,4-difluorophenyl)-1H-indole-2-carboxamide?
N-(5-bromo-2,4-difluorophenyl)-1H-indole-2-carboxamide has a molecular weight of 351.15 g/mol, XLogP of 4.46, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2,4-difluorophenyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 102854713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).