3-bromo-N-[2-(3-fluorophenoxy)ethyl]-1H-indole-2-carboxamide

C17H14BrFN2O2 — CID 55818324

IUPAC3-bromo-N-[2-(3-fluorophenoxy)ethyl]-1H-indole-2-carboxamide
SMILESO=C(NCCOc1cccc(F)c1)c1[nH]c2ccccc2c1Br
InChIInChI=1S/C17H14BrFN2O2/c18-15-13-6-1-2-7-14(13)21-16(15)17(22)20-8-9-23-12-5-3-4-11(19)10-12/h1-7,10,21H,8-9H2,(H,20,22)
InChIKeyRKPYTDXURPYESN-UHFFFAOYSA-N
MW377.21 g/mol
LogP3.88
Rot. Bonds5

About 3-bromo-N-[2-(3-fluorophenoxy)ethyl]-1H-indole-2-carboxamide

3-bromo-N-[2-(3-fluorophenoxy)ethyl]-1H-indole-2-carboxamide (PubChem CID 55818324) has the molecular formula C17H14BrFN2O2 and a molecular weight of 377.21 g/mol. Its IUPAC name is 3-bromo-N-[2-(3-fluorophenoxy)ethyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-[2-(3-fluorophenoxy)ethyl]-1H-indole-2-carboxamide
PubChem CID55818324
Molecular FormulaC17H14BrFN2O2
Molecular Weight377.21 g/mol
Exact Mass376.02
IUPAC Name3-bromo-N-[2-(3-fluorophenoxy)ethyl]-1H-indole-2-carboxamide
SMILESO=C(NCCOc1cccc(F)c1)c1[nH]c2ccccc2c1Br
InChIInChI=1S/C17H14BrFN2O2/c18-15-13-6-1-2-7-14(13)21-16(15)17(22)20-8-9-23-12-5-3-4-11(19)10-12/h1-7,10,21H,8-9H2,(H,20,22)
InChIKeyRKPYTDXURPYESN-UHFFFAOYSA-N
XLogP3.88
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.21
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-N,4-N-bis[2-(3-fluorophenoxy)ethyl]benzene-1,4-dicarboxamide
CID 166196673
N-[2-(3-fluorophenoxy)ethyl]-2-phenylacetamide
CID 110483020
N-[2-(3-bromophenoxy)ethyl]-1H-indazole-3-carboxamide
CID 55976013
methyl N-[2-(3-fluorophenoxy)ethyl]carbamate
CID 110477679
(3-fluorophenyl)methyl 3-bromo-1H-indole-2-carboxylate
CID 46459757
2-chloro-2-fluoro-N-[2-(3-fluorophenoxy)ethyl]acetamide
CID 166427822
N-[2-(3-fluorophenoxy)ethyl]-3,5-dimethoxybenzamide
CID 113099242
5-ethyl-N-[2-(3-fluorophenoxy)ethyl]-1H-pyrazole-3-carboxamide
CID 86981435
N-[3-(4-fluorophenoxy)propyl]-4-oxo-1H-quinoline-2-carboxamide
CID 51098622
1-[(5-bromothiophene-2-carbonyl)amino]-3-[2-(3-fluorophenoxy)ethyl]urea
CID 78892353
N-[2-(benzylamino)-2-oxoethyl]-3-bromo-1H-indole-2-carboxamide
CID 55818483
(E)-N-[2-(3-fluorophenoxy)ethyl]-3-phenylprop-2-enamide
CID 35103917

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[2-(3-fluorophenoxy)ethyl]-1H-indole-2-carboxamide?
The IUPAC name of 3-bromo-N-[2-(3-fluorophenoxy)ethyl]-1H-indole-2-carboxamide (CID 55818324) is 3-bromo-N-[2-(3-fluorophenoxy)ethyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 3-bromo-N-[2-(3-fluorophenoxy)ethyl]-1H-indole-2-carboxamide?
The canonical SMILES for 3-bromo-N-[2-(3-fluorophenoxy)ethyl]-1H-indole-2-carboxamide is O=C(NCCOc1cccc(F)c1)c1[nH]c2ccccc2c1Br.
What is the InChIKey of 3-bromo-N-[2-(3-fluorophenoxy)ethyl]-1H-indole-2-carboxamide?
The InChIKey is RKPYTDXURPYESN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrFN2O2/c18-15-13-6-1-2-7-14(13)21-16(15)17(22)20-8-9-23-12-5-3-4-11(19)10-12/h1-7,10,21H,8-9H2,(H,20,22).
What are the key properties of 3-bromo-N-[2-(3-fluorophenoxy)ethyl]-1H-indole-2-carboxamide?
3-bromo-N-[2-(3-fluorophenoxy)ethyl]-1H-indole-2-carboxamide has a molecular weight of 377.21 g/mol, XLogP of 3.88, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[2-(3-fluorophenoxy)ethyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 55818324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).