N-(1-acetyl-2,3-dihydroindol-7-yl)-4-bromobenzamide

C17H15BrN2O2 — CID 112537123

IUPACN-(1-acetyl-2,3-dihydroindol-7-yl)-4-bromobenzamide
SMILESCC(=O)N1CCc2cccc(NC(=O)c3ccc(Br)cc3)c21
InChIInChI=1S/C17H15BrN2O2/c1-11(21)20-10-9-12-3-2-4-15(16(12)20)19-17(22)13-5-7-14(18)8-6-13/h2-8H,9-10H2,1H3,(H,19,22)
InChIKeyMGQWJHHATZPGFI-UHFFFAOYSA-N
MW359.22 g/mol
LogP3.61
Rot. Bonds2

About N-(1-acetyl-2,3-dihydroindol-7-yl)-4-bromobenzamide

N-(1-acetyl-2,3-dihydroindol-7-yl)-4-bromobenzamide (PubChem CID 112537123) has the molecular formula C17H15BrN2O2 and a molecular weight of 359.22 g/mol. Its IUPAC name is N-(1-acetyl-2,3-dihydroindol-7-yl)-4-bromobenzamide.

Molecular Properties

Compound NameN-(1-acetyl-2,3-dihydroindol-7-yl)-4-bromobenzamide
PubChem CID112537123
Molecular FormulaC17H15BrN2O2
Molecular Weight359.22 g/mol
Exact Mass358.03
IUPAC NameN-(1-acetyl-2,3-dihydroindol-7-yl)-4-bromobenzamide
SMILESCC(=O)N1CCc2cccc(NC(=O)c3ccc(Br)cc3)c21
InChIInChI=1S/C17H15BrN2O2/c1-11(21)20-10-9-12-3-2-4-15(16(12)20)19-17(22)13-5-7-14(18)8-6-13/h2-8H,9-10H2,1H3,(H,19,22)
InChIKeyMGQWJHHATZPGFI-UHFFFAOYSA-N
XLogP3.61
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.22
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-acetyl-2,3-dihydroindol-7-yl)-2-methylpropanamide
CID 112537152
N-(1-acetyl-2,3-dihydroindol-7-yl)-2-methyl-1,3-thiazole-4-carboxamide
CID 166234118
N-(1-acetyl-2,3-dihydroindol-7-yl)-2-(2-methylphenyl)acetamide
CID 112537144
7-benzamido-N-tert-butyl-2,3-dihydroindole-1-carboxamide
CID 132583260
N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-4-bromobenzamide
CID 17176995
1-[7-[(E)-2-(4-bromophenyl)ethenyl]-2,3-dihydroindol-1-yl]ethanone
CID 102233608
1-(1-acetyl-2,3-dihydroindol-7-yl)-3-(2,4-difluorophenyl)urea
CID 3415037
N-[1-[4-(dimethylamino)benzoyl]-2,3-dihydroindol-7-yl]acetamide
CID 112537299
4-bromo-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)benzamide
CID 114490823
N-(1-acetyl-2,3-dihydroindol-7-yl)-3-morpholin-4-ylpropanamide
CID 112537116
N-(1-acetyl-2,3-dihydroindol-7-yl)-3-pyridin-4-ylpropanamide
CID 112537187
N-(1-acetyl-2,3-dihydroindol-7-yl)-2-(3-methoxyphenyl)acetamide
CID 112537141

Frequently Asked Questions

What is the IUPAC name of N-(1-acetyl-2,3-dihydroindol-7-yl)-4-bromobenzamide?
The IUPAC name of N-(1-acetyl-2,3-dihydroindol-7-yl)-4-bromobenzamide (CID 112537123) is N-(1-acetyl-2,3-dihydroindol-7-yl)-4-bromobenzamide.
What is the SMILES notation for N-(1-acetyl-2,3-dihydroindol-7-yl)-4-bromobenzamide?
The canonical SMILES for N-(1-acetyl-2,3-dihydroindol-7-yl)-4-bromobenzamide is CC(=O)N1CCc2cccc(NC(=O)c3ccc(Br)cc3)c21.
What is the InChIKey of N-(1-acetyl-2,3-dihydroindol-7-yl)-4-bromobenzamide?
The InChIKey is MGQWJHHATZPGFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2O2/c1-11(21)20-10-9-12-3-2-4-15(16(12)20)19-17(22)13-5-7-14(18)8-6-13/h2-8H,9-10H2,1H3,(H,19,22).
What are the key properties of N-(1-acetyl-2,3-dihydroindol-7-yl)-4-bromobenzamide?
N-(1-acetyl-2,3-dihydroindol-7-yl)-4-bromobenzamide has a molecular weight of 359.22 g/mol, XLogP of 3.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetyl-2,3-dihydroindol-7-yl)-4-bromobenzamide is sourced from PubChem (CID 112537123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).