N-(3,4-dichlorophenyl)-4-indol-1-yl-4-oxobutanamide

C18H14Cl2N2O2 — CID 84552815

IUPACN-(3,4-dichlorophenyl)-4-indol-1-yl-4-oxobutanamide
SMILESO=C(CCC(=O)n1ccc2ccccc21)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H14Cl2N2O2/c19-14-6-5-13(11-15(14)20)21-17(23)7-8-18(24)22-10-9-12-3-1-2-4-16(12)22/h1-6,9-11H,7-8H2,(H,21,23)
InChIKeyBOWZNCASSWDIDE-UHFFFAOYSA-N
MW361.23 g/mol
LogP5.01
Rot. Bonds4

About N-(3,4-dichlorophenyl)-4-indol-1-yl-4-oxobutanamide

N-(3,4-dichlorophenyl)-4-indol-1-yl-4-oxobutanamide (PubChem CID 84552815) has the molecular formula C18H14Cl2N2O2 and a molecular weight of 361.23 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-4-indol-1-yl-4-oxobutanamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-4-indol-1-yl-4-oxobutanamide
PubChem CID84552815
Molecular FormulaC18H14Cl2N2O2
Molecular Weight361.23 g/mol
Exact Mass360.04
IUPAC NameN-(3,4-dichlorophenyl)-4-indol-1-yl-4-oxobutanamide
SMILESO=C(CCC(=O)n1ccc2ccccc21)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H14Cl2N2O2/c19-14-6-5-13(11-15(14)20)21-17(23)7-8-18(24)22-10-9-12-3-1-2-4-16(12)22/h1-6,9-11H,7-8H2,(H,21,23)
InChIKeyBOWZNCASSWDIDE-UHFFFAOYSA-N
XLogP5.01
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.23
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-indol-1-yl-4-oxo-N-(2,4,5-trichlorophenyl)butanamide
CID 84553059
4-indol-1-yl-N-(3-methylsulfanylphenyl)-4-oxobutanamide
CID 84553091
4-indol-1-yl-N-methyl-4-oxobutanamide
CID 84556822
4-indol-1-yl-N-(4-morpholin-4-ylphenyl)-4-oxobutanamide
CID 84553216
4-indol-1-yl-4-oxo-N-(2H-tetrazol-5-yl)butanamide
CID 84553199
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
N-(3-amino-4-chlorophenyl)-2-indol-1-ylacetamide
CID 43134811
N-(3,4-dichlorophenyl)-4-morpholin-4-yl-4-oxobutanamide
CID 6456922
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-[4-(benzenesulfonyl)piperazin-1-yl]-N-(3,4-dichlorophenyl)-4-oxobutanamide
CID 26577423

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-4-indol-1-yl-4-oxobutanamide?
The IUPAC name of N-(3,4-dichlorophenyl)-4-indol-1-yl-4-oxobutanamide (CID 84552815) is N-(3,4-dichlorophenyl)-4-indol-1-yl-4-oxobutanamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-4-indol-1-yl-4-oxobutanamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-4-indol-1-yl-4-oxobutanamide is O=C(CCC(=O)n1ccc2ccccc21)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-(3,4-dichlorophenyl)-4-indol-1-yl-4-oxobutanamide?
The InChIKey is BOWZNCASSWDIDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N2O2/c19-14-6-5-13(11-15(14)20)21-17(23)7-8-18(24)22-10-9-12-3-1-2-4-16(12)22/h1-6,9-11H,7-8H2,(H,21,23).
What are the key properties of N-(3,4-dichlorophenyl)-4-indol-1-yl-4-oxobutanamide?
N-(3,4-dichlorophenyl)-4-indol-1-yl-4-oxobutanamide has a molecular weight of 361.23 g/mol, XLogP of 5.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-4-indol-1-yl-4-oxobutanamide is sourced from PubChem (CID 84552815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).