2,4-dichloro-N-(3-indol-1-ylpropyl)benzamide

C18H16Cl2N2O — CID 25355760

IUPAC2,4-dichloro-N-(3-indol-1-ylpropyl)benzamide
SMILESO=C(NCCCn1ccc2ccccc21)c1ccc(Cl)cc1Cl
InChIInChI=1S/C18H16Cl2N2O/c19-14-6-7-15(16(20)12-14)18(23)21-9-3-10-22-11-8-13-4-1-2-5-17(13)22/h1-2,4-8,11-12H,3,9-10H2,(H,21,23)
InChIKeyDSTMDSKGPMVGAJ-UHFFFAOYSA-N
MW347.25 g/mol
LogP4.77
Rot. Bonds5

About 2,4-dichloro-N-(3-indol-1-ylpropyl)benzamide

2,4-dichloro-N-(3-indol-1-ylpropyl)benzamide (PubChem CID 25355760) has the molecular formula C18H16Cl2N2O and a molecular weight of 347.25 g/mol. Its IUPAC name is 2,4-dichloro-N-(3-indol-1-ylpropyl)benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-(3-indol-1-ylpropyl)benzamide
PubChem CID25355760
Molecular FormulaC18H16Cl2N2O
Molecular Weight347.25 g/mol
Exact Mass346.06
IUPAC Name2,4-dichloro-N-(3-indol-1-ylpropyl)benzamide
SMILESO=C(NCCCn1ccc2ccccc21)c1ccc(Cl)cc1Cl
InChIInChI=1S/C18H16Cl2N2O/c19-14-6-7-15(16(20)12-14)18(23)21-9-3-10-22-11-8-13-4-1-2-5-17(13)22/h1-2,4-8,11-12H,3,9-10H2,(H,21,23)
InChIKeyDSTMDSKGPMVGAJ-UHFFFAOYSA-N
XLogP4.77
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.25
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-chlorophenyl)-N-(3-indol-1-ylpropyl)-5-methylpyrazole-4-carboxamide
CID 55581931
4-chloro-N-(2-indol-1-ylethyl)-2-(tetrazol-1-yl)benzamide
CID 56761342
2-bromo-N-(3-indol-1-ylpropyl)-5-sulfamoylbenzamide
CID 25393245
7-chloro-N-(3-indol-1-ylpropyl)-1,3-benzodioxole-5-carboxamide
CID 24554019
2,4-dichloro-N-[2-[(2-chlorobenzoyl)amino]ethyl]benzamide
CID 46433349
4-(4-chlorophenyl)-N-(3-indol-1-ylpropyl)-4-oxobutanamide
CID 55349212
N-(3-indol-1-ylpropyl)-1-methylpyrrole-2-carboxamide
CID 78799397
3-chloro-5-ethoxy-4-hydroxy-N-(3-indol-1-ylpropyl)benzamide
CID 112768654
N-[2-[[2-[3-(benzimidazol-1-yl)propylamino]-2-oxoethyl]amino]-2-oxoethyl]-2,4-dichlorobenzamide
CID 22108871
(E)-3-(2,4-dichlorophenyl)-N-(2-indol-1-ylethyl)prop-2-enamide
CID 108750525
2,2-difluoro-N-(3-indol-1-ylpropyl)acetamide
CID 113218212
2,4-dichloro-N-[3-(3-methylpyrazol-1-yl)propyl]benzamide
CID 19323927

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-(3-indol-1-ylpropyl)benzamide?
The IUPAC name of 2,4-dichloro-N-(3-indol-1-ylpropyl)benzamide (CID 25355760) is 2,4-dichloro-N-(3-indol-1-ylpropyl)benzamide.
What is the SMILES notation for 2,4-dichloro-N-(3-indol-1-ylpropyl)benzamide?
The canonical SMILES for 2,4-dichloro-N-(3-indol-1-ylpropyl)benzamide is O=C(NCCCn1ccc2ccccc21)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-(3-indol-1-ylpropyl)benzamide?
The InChIKey is DSTMDSKGPMVGAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N2O/c19-14-6-7-15(16(20)12-14)18(23)21-9-3-10-22-11-8-13-4-1-2-5-17(13)22/h1-2,4-8,11-12H,3,9-10H2,(H,21,23).
What are the key properties of 2,4-dichloro-N-(3-indol-1-ylpropyl)benzamide?
2,4-dichloro-N-(3-indol-1-ylpropyl)benzamide has a molecular weight of 347.25 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-(3-indol-1-ylpropyl)benzamide is sourced from PubChem (CID 25355760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).