N-(2-bromo-4-fluorophenyl)-5-ethyl-1H-indole-2-carboxamide

C17H14BrFN2O — CID 2823648

IUPACN-(2-bromo-4-fluorophenyl)-5-ethyl-1H-indole-2-carboxamide
SMILESCCc1ccc2[nH]c(C(=O)Nc3ccc(F)cc3Br)cc2c1
InChIInChI=1S/C17H14BrFN2O/c1-2-10-3-5-14-11(7-10)8-16(20-14)17(22)21-15-6-4-12(19)9-13(15)18/h3-9,20H,2H2,1H3,(H,21,22)
InChIKeyNHWCNZDKUXANOI-UHFFFAOYSA-N
MW361.21 g/mol
LogP4.88
Rot. Bonds3

About N-(2-bromo-4-fluorophenyl)-5-ethyl-1H-indole-2-carboxamide

N-(2-bromo-4-fluorophenyl)-5-ethyl-1H-indole-2-carboxamide (PubChem CID 2823648) has the molecular formula C17H14BrFN2O and a molecular weight of 361.21 g/mol. Its IUPAC name is N-(2-bromo-4-fluorophenyl)-5-ethyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-4-fluorophenyl)-5-ethyl-1H-indole-2-carboxamide
PubChem CID2823648
Molecular FormulaC17H14BrFN2O
Molecular Weight361.21 g/mol
Exact Mass360.03
IUPAC NameN-(2-bromo-4-fluorophenyl)-5-ethyl-1H-indole-2-carboxamide
SMILESCCc1ccc2[nH]c(C(=O)Nc3ccc(F)cc3Br)cc2c1
InChIInChI=1S/C17H14BrFN2O/c1-2-10-3-5-14-11(7-10)8-16(20-14)17(22)21-15-6-4-12(19)9-13(15)18/h3-9,20H,2H2,1H3,(H,21,22)
InChIKeyNHWCNZDKUXANOI-UHFFFAOYSA-N
XLogP4.88
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.21
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-fluorophenyl)-5-ethyl-1H-indole-2-carboxamide?
The IUPAC name of N-(2-bromo-4-fluorophenyl)-5-ethyl-1H-indole-2-carboxamide (CID 2823648) is N-(2-bromo-4-fluorophenyl)-5-ethyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-(2-bromo-4-fluorophenyl)-5-ethyl-1H-indole-2-carboxamide?
The canonical SMILES for N-(2-bromo-4-fluorophenyl)-5-ethyl-1H-indole-2-carboxamide is CCc1ccc2[nH]c(C(=O)Nc3ccc(F)cc3Br)cc2c1.
What is the InChIKey of N-(2-bromo-4-fluorophenyl)-5-ethyl-1H-indole-2-carboxamide?
The InChIKey is NHWCNZDKUXANOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrFN2O/c1-2-10-3-5-14-11(7-10)8-16(20-14)17(22)21-15-6-4-12(19)9-13(15)18/h3-9,20H,2H2,1H3,(H,21,22).
What are the key properties of N-(2-bromo-4-fluorophenyl)-5-ethyl-1H-indole-2-carboxamide?
N-(2-bromo-4-fluorophenyl)-5-ethyl-1H-indole-2-carboxamide has a molecular weight of 361.21 g/mol, XLogP of 4.88, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-fluorophenyl)-5-ethyl-1H-indole-2-carboxamide is sourced from PubChem (CID 2823648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).