1-acetyl-N-[1-(3-bromophenyl)ethyl]-2,3-dihydroindole-5-carboxamide

C19H19BrN2O2 — CID 55577789

IUPAC1-acetyl-N-[1-(3-bromophenyl)ethyl]-2,3-dihydroindole-5-carboxamide
SMILESCC(=O)N1CCc2cc(C(=O)NC(C)c3cccc(Br)c3)ccc21
InChIInChI=1S/C19H19BrN2O2/c1-12(14-4-3-5-17(20)11-14)21-19(24)16-6-7-18-15(10-16)8-9-22(18)13(2)23/h3-7,10-12H,8-9H2,1-2H3,(H,21,24)
InChIKeyQPIODWLXCBOGAZ-UHFFFAOYSA-N
MW387.28 g/mol
LogP3.85
Rot. Bonds3

About 1-acetyl-N-[1-(3-bromophenyl)ethyl]-2,3-dihydroindole-5-carboxamide

1-acetyl-N-[1-(3-bromophenyl)ethyl]-2,3-dihydroindole-5-carboxamide (PubChem CID 55577789) has the molecular formula C19H19BrN2O2 and a molecular weight of 387.28 g/mol. Its IUPAC name is 1-acetyl-N-[1-(3-bromophenyl)ethyl]-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[1-(3-bromophenyl)ethyl]-2,3-dihydroindole-5-carboxamide
PubChem CID55577789
Molecular FormulaC19H19BrN2O2
Molecular Weight387.28 g/mol
Exact Mass386.06
IUPAC Name1-acetyl-N-[1-(3-bromophenyl)ethyl]-2,3-dihydroindole-5-carboxamide
SMILESCC(=O)N1CCc2cc(C(=O)NC(C)c3cccc(Br)c3)ccc21
InChIInChI=1S/C19H19BrN2O2/c1-12(14-4-3-5-17(20)11-14)21-19(24)16-6-7-18-15(10-16)8-9-22(18)13(2)23/h3-7,10-12H,8-9H2,1-2H3,(H,21,24)
InChIKeyQPIODWLXCBOGAZ-UHFFFAOYSA-N
XLogP3.85
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.28
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-acetyl-N-[1-(3,4-difluorophenyl)ethyl]-2,3-dihydroindole-5-carboxamide
CID 24532068
3-[(1-acetyl-2,3-dihydroindole-5-carbonyl)amino]-2-methyl-3-phenylpropanoic acid
CID 119218926
1-acetyl-N-(2-methyl-1-thiophen-2-ylpropyl)-2,3-dihydroindole-5-carboxamide
CID 51266884
4-amino-N-[1-(3-bromophenyl)ethyl]-3-methylbenzamide
CID 43699110
3-amino-N-[(1S)-1-(3-bromophenyl)ethyl]-4-methylbenzamide
CID 81376337
4-bromo-N-[1-(3-bromophenyl)ethyl]-3-hydroxybenzamide
CID 103830500
1-acetyl-N-[(2R)-1-(4-phenylphenyl)propan-2-yl]-2,3-dihydroindole-5-carboxamide
CID 51959933
N-[1-(3-bromophenyl)ethyl]-3-iodobenzamide
CID 63531674
N-[1-(3-aminophenyl)ethyl]-3-bromobenzamide
CID 43297641
1-acetyl-N-[1-(4-chlorophenyl)propyl]-2,3-dihydroindole-5-carboxamide
CID 55497593
N-[1-(3-bromophenyl)ethyl]-1H-indole-5-carboxamide
CID 63716758
4-(bromomethyl)-N-[(1S)-1-(3-bromophenyl)ethyl]benzamide
CID 102851910

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[1-(3-bromophenyl)ethyl]-2,3-dihydroindole-5-carboxamide?
The IUPAC name of 1-acetyl-N-[1-(3-bromophenyl)ethyl]-2,3-dihydroindole-5-carboxamide (CID 55577789) is 1-acetyl-N-[1-(3-bromophenyl)ethyl]-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for 1-acetyl-N-[1-(3-bromophenyl)ethyl]-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for 1-acetyl-N-[1-(3-bromophenyl)ethyl]-2,3-dihydroindole-5-carboxamide is CC(=O)N1CCc2cc(C(=O)NC(C)c3cccc(Br)c3)ccc21.
What is the InChIKey of 1-acetyl-N-[1-(3-bromophenyl)ethyl]-2,3-dihydroindole-5-carboxamide?
The InChIKey is QPIODWLXCBOGAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN2O2/c1-12(14-4-3-5-17(20)11-14)21-19(24)16-6-7-18-15(10-16)8-9-22(18)13(2)23/h3-7,10-12H,8-9H2,1-2H3,(H,21,24).
What are the key properties of 1-acetyl-N-[1-(3-bromophenyl)ethyl]-2,3-dihydroindole-5-carboxamide?
1-acetyl-N-[1-(3-bromophenyl)ethyl]-2,3-dihydroindole-5-carboxamide has a molecular weight of 387.28 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[1-(3-bromophenyl)ethyl]-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 55577789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).