1-[1-(4-bromobenzoyl)-2,3-dihydroindol-5-yl]ethanone

C17H14BrNO2 — CID 110737345

IUPAC1-[1-(4-bromobenzoyl)-2,3-dihydroindol-5-yl]ethanone
SMILESCC(=O)c1ccc2c(c1)CCN2C(=O)c1ccc(Br)cc1
InChIInChI=1S/C17H14BrNO2/c1-11(20)13-4-7-16-14(10-13)8-9-19(16)17(21)12-2-5-15(18)6-3-12/h2-7,10H,8-9H2,1H3
InChIKeyPYTBBSKDGFBJHP-UHFFFAOYSA-N
MW344.21 g/mol
LogP3.85
Rot. Bonds2

About 1-[1-(4-bromobenzoyl)-2,3-dihydroindol-5-yl]ethanone

1-[1-(4-bromobenzoyl)-2,3-dihydroindol-5-yl]ethanone (PubChem CID 110737345) has the molecular formula C17H14BrNO2 and a molecular weight of 344.21 g/mol. Its IUPAC name is 1-[1-(4-bromobenzoyl)-2,3-dihydroindol-5-yl]ethanone.

Molecular Properties

Compound Name1-[1-(4-bromobenzoyl)-2,3-dihydroindol-5-yl]ethanone
PubChem CID110737345
Molecular FormulaC17H14BrNO2
Molecular Weight344.21 g/mol
Exact Mass343.02
IUPAC Name1-[1-(4-bromobenzoyl)-2,3-dihydroindol-5-yl]ethanone
SMILESCC(=O)c1ccc2c(c1)CCN2C(=O)c1ccc(Br)cc1
InChIInChI=1S/C17H14BrNO2/c1-11(20)13-4-7-16-14(10-13)8-9-19(16)17(21)12-2-5-15(18)6-3-12/h2-7,10H,8-9H2,1H3
InChIKeyPYTBBSKDGFBJHP-UHFFFAOYSA-N
XLogP3.85
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.21
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-[4-(dimethylamino)benzoyl]-2,3-dihydroindol-5-yl]ethanone
CID 110746141
1-[1-(3,5-dimethoxybenzoyl)-2,3-dihydroindol-5-yl]ethanone
CID 110737350
N-[3-(5-acetyl-2,3-dihydroindole-1-carbonyl)phenyl]acetamide
CID 110746144
1-[1-[(4-bromophenyl)methyl]-2,3-dihydroindol-5-yl]ethanone
CID 102662471
1-[1-(5-aminofuran-2-carbonyl)-2,3-dihydroindol-5-yl]ethanone
CID 82344236
(5-methyl-2,3-dihydroindol-1-yl)-(4-methylphenyl)methanone
CID 20793206
(5-bromo-2,3-dihydroindol-1-yl)-(3,4-dichlorophenyl)methanone
CID 47444577
4-[4-(5-bromo-2,3-dihydroindole-1-carbonyl)phenoxy]benzamide
CID 56548407
ethane;1-(1-methyl-2,3-dihydroindol-5-yl)ethanone
CID 91428758
methyl 1-benzoyl-2,3-dihydroindole-5-carboxylate
CID 10660450
(5-bromo-2,3-dihydroindol-1-yl)-(3-bromo-5-fluorophenyl)methanone
CID 47444598
1-(4-bromobenzoyl)-6-methyl-2,3-dihydroquinolin-4-one
CID 110634836

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-bromobenzoyl)-2,3-dihydroindol-5-yl]ethanone?
The IUPAC name of 1-[1-(4-bromobenzoyl)-2,3-dihydroindol-5-yl]ethanone (CID 110737345) is 1-[1-(4-bromobenzoyl)-2,3-dihydroindol-5-yl]ethanone.
What is the SMILES notation for 1-[1-(4-bromobenzoyl)-2,3-dihydroindol-5-yl]ethanone?
The canonical SMILES for 1-[1-(4-bromobenzoyl)-2,3-dihydroindol-5-yl]ethanone is CC(=O)c1ccc2c(c1)CCN2C(=O)c1ccc(Br)cc1.
What is the InChIKey of 1-[1-(4-bromobenzoyl)-2,3-dihydroindol-5-yl]ethanone?
The InChIKey is PYTBBSKDGFBJHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrNO2/c1-11(20)13-4-7-16-14(10-13)8-9-19(16)17(21)12-2-5-15(18)6-3-12/h2-7,10H,8-9H2,1H3.
What are the key properties of 1-[1-(4-bromobenzoyl)-2,3-dihydroindol-5-yl]ethanone?
1-[1-(4-bromobenzoyl)-2,3-dihydroindol-5-yl]ethanone has a molecular weight of 344.21 g/mol, XLogP of 3.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-bromobenzoyl)-2,3-dihydroindol-5-yl]ethanone is sourced from PubChem (CID 110737345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).