N-[2-(2-bromo-5-fluorophenyl)-2,3-dihydroindol-1-yl]acetamide

C16H14BrFN2O — CID 11393937

IUPACN-[2-(2-bromo-5-fluorophenyl)-2,3-dihydroindol-1-yl]acetamide
SMILESCC(=O)NN1c2ccccc2CC1c1cc(F)ccc1Br
InChIInChI=1S/C16H14BrFN2O/c1-10(21)19-20-15-5-3-2-4-11(15)8-16(20)13-9-12(18)6-7-14(13)17/h2-7,9,16H,8H2,1H3,(H,19,21)
InChIKeyVTDOPZCIFLEBNA-UHFFFAOYSA-N
MW349.20 g/mol
LogP3.74
Rot. Bonds2

About N-[2-(2-bromo-5-fluorophenyl)-2,3-dihydroindol-1-yl]acetamide

N-[2-(2-bromo-5-fluorophenyl)-2,3-dihydroindol-1-yl]acetamide (PubChem CID 11393937) has the molecular formula C16H14BrFN2O and a molecular weight of 349.20 g/mol. Its IUPAC name is N-[2-(2-bromo-5-fluorophenyl)-2,3-dihydroindol-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-(2-bromo-5-fluorophenyl)-2,3-dihydroindol-1-yl]acetamide
PubChem CID11393937
Molecular FormulaC16H14BrFN2O
Molecular Weight349.20 g/mol
Exact Mass348.03
IUPAC NameN-[2-(2-bromo-5-fluorophenyl)-2,3-dihydroindol-1-yl]acetamide
SMILESCC(=O)NN1c2ccccc2CC1c1cc(F)ccc1Br
InChIInChI=1S/C16H14BrFN2O/c1-10(21)19-20-15-5-3-2-4-11(15)8-16(20)13-9-12(18)6-7-14(13)17/h2-7,9,16H,8H2,1H3,(H,19,21)
InChIKeyVTDOPZCIFLEBNA-UHFFFAOYSA-N
XLogP3.74
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.20
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2S)-2-phenyl-2,3-dihydroindol-1-yl]propanamide
CID 162807837
(2-bromo-5-fluorophenyl)-(2,3-dihydro-1H-inden-2-yl)methanone
CID 106893007
N-(2-bromo-5-fluorophenyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 106703873
tert-butyl (2S)-2-(4-fluorophenyl)-2,3-dihydroindole-1-carboxylate
CID 11681181
N-(5-fluoro-2-methylphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide
CID 18084849
5-fluoro-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)benzoic acid
CID 63535830
2-bromo-4-fluoro-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 16563640
N-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)acetamide
CID 2753031
N-(5-fluoro-1-methyl-2-oxo-3H-indol-3-yl)acetamide
CID 2952221
2-(5-fluoro-2-methylanilino)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 9099723
1-[2-(2-hydroxy-5-methylphenyl)-2,3-dihydroindol-1-yl]ethanone
CID 132532210
1-(2-bromo-5-fluorophenyl)ethanone
CID 22736080

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromo-5-fluorophenyl)-2,3-dihydroindol-1-yl]acetamide?
The IUPAC name of N-[2-(2-bromo-5-fluorophenyl)-2,3-dihydroindol-1-yl]acetamide (CID 11393937) is N-[2-(2-bromo-5-fluorophenyl)-2,3-dihydroindol-1-yl]acetamide.
What is the SMILES notation for N-[2-(2-bromo-5-fluorophenyl)-2,3-dihydroindol-1-yl]acetamide?
The canonical SMILES for N-[2-(2-bromo-5-fluorophenyl)-2,3-dihydroindol-1-yl]acetamide is CC(=O)NN1c2ccccc2CC1c1cc(F)ccc1Br.
What is the InChIKey of N-[2-(2-bromo-5-fluorophenyl)-2,3-dihydroindol-1-yl]acetamide?
The InChIKey is VTDOPZCIFLEBNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrFN2O/c1-10(21)19-20-15-5-3-2-4-11(15)8-16(20)13-9-12(18)6-7-14(13)17/h2-7,9,16H,8H2,1H3,(H,19,21).
What are the key properties of N-[2-(2-bromo-5-fluorophenyl)-2,3-dihydroindol-1-yl]acetamide?
N-[2-(2-bromo-5-fluorophenyl)-2,3-dihydroindol-1-yl]acetamide has a molecular weight of 349.20 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bromo-5-fluorophenyl)-2,3-dihydroindol-1-yl]acetamide is sourced from PubChem (CID 11393937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).