N-(4-bromo-2-methylphenyl)-3-(2,3-dihydroindol-1-yl)-3-oxopropanamide

C18H17BrN2O2 — CID 108953321

IUPACN-(4-bromo-2-methylphenyl)-3-(2,3-dihydroindol-1-yl)-3-oxopropanamide
SMILESCc1cc(Br)ccc1NC(=O)CC(=O)N1CCc2ccccc21
InChIInChI=1S/C18H17BrN2O2/c1-12-10-14(19)6-7-15(12)20-17(22)11-18(23)21-9-8-13-4-2-3-5-16(13)21/h2-7,10H,8-9,11H2,1H3,(H,20,22)
InChIKeyXXYXNROLGSLSNE-UHFFFAOYSA-N
MW373.25 g/mol
LogP3.68
Rot. Bonds3

About N-(4-bromo-2-methylphenyl)-3-(2,3-dihydroindol-1-yl)-3-oxopropanamide

N-(4-bromo-2-methylphenyl)-3-(2,3-dihydroindol-1-yl)-3-oxopropanamide (PubChem CID 108953321) has the molecular formula C18H17BrN2O2 and a molecular weight of 373.25 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-3-(2,3-dihydroindol-1-yl)-3-oxopropanamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-3-(2,3-dihydroindol-1-yl)-3-oxopropanamide
PubChem CID108953321
Molecular FormulaC18H17BrN2O2
Molecular Weight373.25 g/mol
Exact Mass372.05
IUPAC NameN-(4-bromo-2-methylphenyl)-3-(2,3-dihydroindol-1-yl)-3-oxopropanamide
SMILESCc1cc(Br)ccc1NC(=O)CC(=O)N1CCc2ccccc21
InChIInChI=1S/C18H17BrN2O2/c1-12-10-14(19)6-7-15(12)20-17(22)11-18(23)21-9-8-13-4-2-3-5-16(13)21/h2-7,10H,8-9,11H2,1H3,(H,20,22)
InChIKeyXXYXNROLGSLSNE-UHFFFAOYSA-N
XLogP3.68
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.25
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze N-(4-bromo-2-methylphenyl)-3-(2,3-dihydroindol-1-yl)-3-oxopropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2,3-dihydroindol-1-yl)-3-oxo-N-(2,4,5-trichlorophenyl)propanamide
CID 67615557
N-(4-bromo-2-methylphenyl)-3-(4-methylpiperazin-1-yl)-3-oxopropanamide
CID 108944464
3-(2,3-dihydroindol-1-yl)-N-(4-methylphenyl)-3-oxopropanamide
CID 108953092
methyl 2-[[3-(2,3-dihydroindol-1-yl)-3-oxopropanoyl]amino]benzoate
CID 108953302
N-(2-cyanophenyl)-3-(2,3-dihydroindol-1-yl)-3-oxopropanamide
CID 108953344
N-(2,6-diethylphenyl)-3-(2,3-dihydroindol-1-yl)-3-oxopropanamide
CID 108953265
3-(2,3-dihydroindol-1-yl)-N-[(2-methylphenyl)methyl]-3-oxopropanamide
CID 108945426
1-(2,3-dihydroindol-1-yl)-3-(2,4-dimethylanilino)propan-1-one
CID 109034719
2-(4-chloro-2-methylanilino)-1-(2,3-dihydroindol-1-yl)ethanone
CID 26507089
N-(2-bromophenyl)-2-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-methylamino]acetamide
CID 9252666
3-(2,3-dihydroindol-1-yl)-3-oxo-N-(2-tetradecoxyphenyl)propanamide
CID 23522461
methyl 3-(2,3-dihydroindol-1-yl)-3-oxopropanoate
CID 8990559

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-3-(2,3-dihydroindol-1-yl)-3-oxopropanamide?
The IUPAC name of N-(4-bromo-2-methylphenyl)-3-(2,3-dihydroindol-1-yl)-3-oxopropanamide (CID 108953321) is N-(4-bromo-2-methylphenyl)-3-(2,3-dihydroindol-1-yl)-3-oxopropanamide.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-3-(2,3-dihydroindol-1-yl)-3-oxopropanamide?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-3-(2,3-dihydroindol-1-yl)-3-oxopropanamide is Cc1cc(Br)ccc1NC(=O)CC(=O)N1CCc2ccccc21.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-3-(2,3-dihydroindol-1-yl)-3-oxopropanamide?
The InChIKey is XXYXNROLGSLSNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN2O2/c1-12-10-14(19)6-7-15(12)20-17(22)11-18(23)21-9-8-13-4-2-3-5-16(13)21/h2-7,10H,8-9,11H2,1H3,(H,20,22).
What are the key properties of N-(4-bromo-2-methylphenyl)-3-(2,3-dihydroindol-1-yl)-3-oxopropanamide?
N-(4-bromo-2-methylphenyl)-3-(2,3-dihydroindol-1-yl)-3-oxopropanamide has a molecular weight of 373.25 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylphenyl)-3-(2,3-dihydroindol-1-yl)-3-oxopropanamide is sourced from PubChem (CID 108953321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).