4-indol-1-yl-4-oxo-N-(2,4,5-trichlorophenyl)butanamide

C18H13Cl3N2O2 — CID 84553059

IUPAC4-indol-1-yl-4-oxo-N-(2,4,5-trichlorophenyl)butanamide
SMILESO=C(CCC(=O)n1ccc2ccccc21)Nc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C18H13Cl3N2O2/c19-12-9-14(21)15(10-13(12)20)22-17(24)5-6-18(25)23-8-7-11-3-1-2-4-16(11)23/h1-4,7-10H,5-6H2,(H,22,24)
InChIKeyUTIOHWLZZZUYGC-UHFFFAOYSA-N
MW395.67 g/mol
LogP5.66
Rot. Bonds4

About 4-indol-1-yl-4-oxo-N-(2,4,5-trichlorophenyl)butanamide

4-indol-1-yl-4-oxo-N-(2,4,5-trichlorophenyl)butanamide (PubChem CID 84553059) has the molecular formula C18H13Cl3N2O2 and a molecular weight of 395.67 g/mol. Its IUPAC name is 4-indol-1-yl-4-oxo-N-(2,4,5-trichlorophenyl)butanamide.

Molecular Properties

Compound Name4-indol-1-yl-4-oxo-N-(2,4,5-trichlorophenyl)butanamide
PubChem CID84553059
Molecular FormulaC18H13Cl3N2O2
Molecular Weight395.67 g/mol
Exact Mass394.00
IUPAC Name4-indol-1-yl-4-oxo-N-(2,4,5-trichlorophenyl)butanamide
SMILESO=C(CCC(=O)n1ccc2ccccc21)Nc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C18H13Cl3N2O2/c19-12-9-14(21)15(10-13(12)20)22-17(24)5-6-18(25)23-8-7-11-3-1-2-4-16(11)23/h1-4,7-10H,5-6H2,(H,22,24)
InChIKeyUTIOHWLZZZUYGC-UHFFFAOYSA-N
XLogP5.66
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.67
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-(3,4-dichlorophenyl)-4-indol-1-yl-4-oxobutanamide
CID 84552815
N-(2,5-dimethylphenyl)-4-indol-1-yl-4-oxobutanamide
CID 84552820
N-(4-chloro-2-nitrophenyl)-4-indol-1-yl-4-oxobutanamide
CID 84553097
4-indol-1-yl-N-methyl-4-oxobutanamide
CID 84556822
5-bromo-2-[(4-indol-1-yl-4-oxobutanoyl)amino]benzoic acid
CID 84553070
4-indol-1-yl-4-oxo-N-(2H-tetrazol-5-yl)butanamide
CID 84553199
4-indol-1-yl-N-(3-methylsulfanylphenyl)-4-oxobutanamide
CID 84553091
4-[(4-indol-1-yl-4-oxobutanoyl)amino]butanoic acid
CID 84556637
4-indol-1-yl-N-(4-methylpiperazin-1-yl)-4-oxobutanamide
CID 84557053
4-indol-1-yl-N-(4-morpholin-4-ylphenyl)-4-oxobutanamide
CID 84553216
2-[(4-indol-1-yl-4-oxobutanoyl)amino]pentanoic acid
CID 84556826
4-indol-1-yl-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-oxobutanamide
CID 84561267

Frequently Asked Questions

What is the IUPAC name of 4-indol-1-yl-4-oxo-N-(2,4,5-trichlorophenyl)butanamide?
The IUPAC name of 4-indol-1-yl-4-oxo-N-(2,4,5-trichlorophenyl)butanamide (CID 84553059) is 4-indol-1-yl-4-oxo-N-(2,4,5-trichlorophenyl)butanamide.
What is the SMILES notation for 4-indol-1-yl-4-oxo-N-(2,4,5-trichlorophenyl)butanamide?
The canonical SMILES for 4-indol-1-yl-4-oxo-N-(2,4,5-trichlorophenyl)butanamide is O=C(CCC(=O)n1ccc2ccccc21)Nc1cc(Cl)c(Cl)cc1Cl.
What is the InChIKey of 4-indol-1-yl-4-oxo-N-(2,4,5-trichlorophenyl)butanamide?
The InChIKey is UTIOHWLZZZUYGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl3N2O2/c19-12-9-14(21)15(10-13(12)20)22-17(24)5-6-18(25)23-8-7-11-3-1-2-4-16(11)23/h1-4,7-10H,5-6H2,(H,22,24).
What are the key properties of 4-indol-1-yl-4-oxo-N-(2,4,5-trichlorophenyl)butanamide?
4-indol-1-yl-4-oxo-N-(2,4,5-trichlorophenyl)butanamide has a molecular weight of 395.67 g/mol, XLogP of 5.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-indol-1-yl-4-oxo-N-(2,4,5-trichlorophenyl)butanamide is sourced from PubChem (CID 84553059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).