2-bromo-4-fluoro-N-[2-(1H-indol-3-yl)ethyl]benzamide

C17H14BrFN2O — CID 26245347

IUPAC2-bromo-4-fluoro-N-[2-(1H-indol-3-yl)ethyl]benzamide
SMILESO=C(NCCc1c[nH]c2ccccc12)c1ccc(F)cc1Br
InChIInChI=1S/C17H14BrFN2O/c18-15-9-12(19)5-6-14(15)17(22)20-8-7-11-10-21-16-4-2-1-3-13(11)16/h1-6,9-10,21H,7-8H2,(H,20,22)
InChIKeyMLZICCWZZKROGB-UHFFFAOYSA-N
MW361.21 g/mol
LogP4.04
Rot. Bonds4

About 2-bromo-4-fluoro-N-[2-(1H-indol-3-yl)ethyl]benzamide

2-bromo-4-fluoro-N-[2-(1H-indol-3-yl)ethyl]benzamide (PubChem CID 26245347) has the molecular formula C17H14BrFN2O and a molecular weight of 361.21 g/mol. Its IUPAC name is 2-bromo-4-fluoro-N-[2-(1H-indol-3-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-bromo-4-fluoro-N-[2-(1H-indol-3-yl)ethyl]benzamide
PubChem CID26245347
Molecular FormulaC17H14BrFN2O
Molecular Weight361.21 g/mol
Exact Mass360.03
IUPAC Name2-bromo-4-fluoro-N-[2-(1H-indol-3-yl)ethyl]benzamide
SMILESO=C(NCCc1c[nH]c2ccccc12)c1ccc(F)cc1Br
InChIInChI=1S/C17H14BrFN2O/c18-15-9-12(19)5-6-14(15)17(22)20-8-7-11-10-21-16-4-2-1-3-13(11)16/h1-6,9-10,21H,7-8H2,(H,20,22)
InChIKeyMLZICCWZZKROGB-UHFFFAOYSA-N
XLogP4.04
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.21
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

5-fluoro-2-(hydroxymethyl)-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 175363337
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-hydroxybenzamide
CID 155516405
2-(2-fluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 162373909
2-bromo-5-fluoro-N-[3-[2-[2-(1H-indol-3-yl)acetyl]hydrazinyl]-3-oxopropyl]benzamide
CID 55822838
2,6-difluoro-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]benzamide
CID 49408660
1-N,4-N-bis[2-(1H-indol-3-yl)ethyl]benzene-1,4-dicarboxamide
CID 42988811
N-[2-[2-(6-fluoro-1H-indol-3-yl)ethylamino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 60607228
N-[2-(1H-indol-3-yl)ethyl]-2,5-dimethyl-1H-pyrrole-3-carboxamide
CID 110766157
3-bromo-N-[2-(1H-indol-3-yl)ethyl]pyridine-2-carboxamide
CID 107518048
1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-[2-(1H-indol-3-yl)ethyl]-2-methylguanidine
CID 111787771
N-[2-(1H-indol-3-yl)ethyl]-2-methyl-1H-pyrrole-3-carboxamide
CID 110695717
2-(2,4-difluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 109002509

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-fluoro-N-[2-(1H-indol-3-yl)ethyl]benzamide?
The IUPAC name of 2-bromo-4-fluoro-N-[2-(1H-indol-3-yl)ethyl]benzamide (CID 26245347) is 2-bromo-4-fluoro-N-[2-(1H-indol-3-yl)ethyl]benzamide.
What is the SMILES notation for 2-bromo-4-fluoro-N-[2-(1H-indol-3-yl)ethyl]benzamide?
The canonical SMILES for 2-bromo-4-fluoro-N-[2-(1H-indol-3-yl)ethyl]benzamide is O=C(NCCc1c[nH]c2ccccc12)c1ccc(F)cc1Br.
What is the InChIKey of 2-bromo-4-fluoro-N-[2-(1H-indol-3-yl)ethyl]benzamide?
The InChIKey is MLZICCWZZKROGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrFN2O/c18-15-9-12(19)5-6-14(15)17(22)20-8-7-11-10-21-16-4-2-1-3-13(11)16/h1-6,9-10,21H,7-8H2,(H,20,22).
What are the key properties of 2-bromo-4-fluoro-N-[2-(1H-indol-3-yl)ethyl]benzamide?
2-bromo-4-fluoro-N-[2-(1H-indol-3-yl)ethyl]benzamide has a molecular weight of 361.21 g/mol, XLogP of 4.04, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-fluoro-N-[2-(1H-indol-3-yl)ethyl]benzamide is sourced from PubChem (CID 26245347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).