3-(2,3-dihydroindol-1-yl)-3-oxo-N-(2,4,5-trichlorophenyl)propanamide

C17H13Cl3N2O2 — CID 67615557

IUPAC3-(2,3-dihydroindol-1-yl)-3-oxo-N-(2,4,5-trichlorophenyl)propanamide
SMILESO=C(CC(=O)N1CCc2ccccc21)Nc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C17H13Cl3N2O2/c18-11-7-13(20)14(8-12(11)19)21-16(23)9-17(24)22-6-5-10-3-1-2-4-15(10)22/h1-4,7-8H,5-6,9H2,(H,21,23)
InChIKeyKCDZSNUINHTSKG-UHFFFAOYSA-N
MW383.66 g/mol
LogP4.56
Rot. Bonds3

About 3-(2,3-dihydroindol-1-yl)-3-oxo-N-(2,4,5-trichlorophenyl)propanamide

3-(2,3-dihydroindol-1-yl)-3-oxo-N-(2,4,5-trichlorophenyl)propanamide (PubChem CID 67615557) has the molecular formula C17H13Cl3N2O2 and a molecular weight of 383.66 g/mol. Its IUPAC name is 3-(2,3-dihydroindol-1-yl)-3-oxo-N-(2,4,5-trichlorophenyl)propanamide.

Molecular Properties

Compound Name3-(2,3-dihydroindol-1-yl)-3-oxo-N-(2,4,5-trichlorophenyl)propanamide
PubChem CID67615557
Molecular FormulaC17H13Cl3N2O2
Molecular Weight383.66 g/mol
Exact Mass382.00
IUPAC Name3-(2,3-dihydroindol-1-yl)-3-oxo-N-(2,4,5-trichlorophenyl)propanamide
SMILESO=C(CC(=O)N1CCc2ccccc21)Nc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C17H13Cl3N2O2/c18-11-7-13(20)14(8-12(11)19)21-16(23)9-17(24)22-6-5-10-3-1-2-4-15(10)22/h1-4,7-8H,5-6,9H2,(H,21,23)
InChIKeyKCDZSNUINHTSKG-UHFFFAOYSA-N
XLogP4.56
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.66
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-(2-cyanophenyl)-3-(2,3-dihydroindol-1-yl)-3-oxopropanamide
CID 108953344
N-(4-bromo-2-methylphenyl)-3-(2,3-dihydroindol-1-yl)-3-oxopropanamide
CID 108953321
methyl 2-[[3-(2,3-dihydroindol-1-yl)-3-oxopropanoyl]amino]benzoate
CID 108953302
3-(2,3-dihydroindol-1-yl)-N-(4-methylphenyl)-3-oxopropanamide
CID 108953092
N-(2,6-diethylphenyl)-3-(2,3-dihydroindol-1-yl)-3-oxopropanamide
CID 108953265
2-(3,4-dichloroanilino)-1-(2,3-dihydroindol-1-yl)ethanone
CID 9098782
2-(2-chloro-4-methylanilino)-1-(2,3-dihydroindol-1-yl)ethanone
CID 9099376
N-(3-acetamidophenyl)-3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropanamide
CID 108953400
1,4-bis(2,3-dihydroindol-1-yl)butane-1,4-dione
CID 741114
2-(2,3-dihydroindol-1-yl)-2-oxoethanesulfonyl chloride
CID 99980595
3-(2,3-dihydroindol-1-yl)-3-oxo-N-(2-tetradecoxyphenyl)propanamide
CID 23522461
2-(2-chlorophenyl)sulfanyl-1-(2,3-dihydroindol-1-yl)ethanone
CID 2382799

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydroindol-1-yl)-3-oxo-N-(2,4,5-trichlorophenyl)propanamide?
The IUPAC name of 3-(2,3-dihydroindol-1-yl)-3-oxo-N-(2,4,5-trichlorophenyl)propanamide (CID 67615557) is 3-(2,3-dihydroindol-1-yl)-3-oxo-N-(2,4,5-trichlorophenyl)propanamide.
What is the SMILES notation for 3-(2,3-dihydroindol-1-yl)-3-oxo-N-(2,4,5-trichlorophenyl)propanamide?
The canonical SMILES for 3-(2,3-dihydroindol-1-yl)-3-oxo-N-(2,4,5-trichlorophenyl)propanamide is O=C(CC(=O)N1CCc2ccccc21)Nc1cc(Cl)c(Cl)cc1Cl.
What is the InChIKey of 3-(2,3-dihydroindol-1-yl)-3-oxo-N-(2,4,5-trichlorophenyl)propanamide?
The InChIKey is KCDZSNUINHTSKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl3N2O2/c18-11-7-13(20)14(8-12(11)19)21-16(23)9-17(24)22-6-5-10-3-1-2-4-15(10)22/h1-4,7-8H,5-6,9H2,(H,21,23).
What are the key properties of 3-(2,3-dihydroindol-1-yl)-3-oxo-N-(2,4,5-trichlorophenyl)propanamide?
3-(2,3-dihydroindol-1-yl)-3-oxo-N-(2,4,5-trichlorophenyl)propanamide has a molecular weight of 383.66 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydroindol-1-yl)-3-oxo-N-(2,4,5-trichlorophenyl)propanamide is sourced from PubChem (CID 67615557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).