3,4-dichloro-N-[2-(1H-indol-3-yl)ethyl]benzamide

C17H14Cl2N2O — CID 4879936

IUPAC3,4-dichloro-N-[2-(1H-indol-3-yl)ethyl]benzamide
SMILESO=C(NCCc1c[nH]c2ccccc12)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H14Cl2N2O/c18-14-6-5-11(9-15(14)19)17(22)20-8-7-12-10-21-16-4-2-1-3-13(12)16/h1-6,9-10,21H,7-8H2,(H,20,22)
InChIKeyVPXFQXYYNWTVCG-UHFFFAOYSA-N
MW333.22 g/mol
LogP4.45
Rot. Bonds4

About 3,4-dichloro-N-[2-(1H-indol-3-yl)ethyl]benzamide

3,4-dichloro-N-[2-(1H-indol-3-yl)ethyl]benzamide (PubChem CID 4879936) has the molecular formula C17H14Cl2N2O and a molecular weight of 333.22 g/mol. Its IUPAC name is 3,4-dichloro-N-[2-(1H-indol-3-yl)ethyl]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[2-(1H-indol-3-yl)ethyl]benzamide
PubChem CID4879936
Molecular FormulaC17H14Cl2N2O
Molecular Weight333.22 g/mol
Exact Mass332.05
IUPAC Name3,4-dichloro-N-[2-(1H-indol-3-yl)ethyl]benzamide
SMILESO=C(NCCc1c[nH]c2ccccc12)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H14Cl2N2O/c18-14-6-5-11(9-15(14)19)17(22)20-8-7-12-10-21-16-4-2-1-3-13(12)16/h1-6,9-10,21H,7-8H2,(H,20,22)
InChIKeyVPXFQXYYNWTVCG-UHFFFAOYSA-N
XLogP4.45
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.22
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[2-(1H-indol-3-yl)ethyl]benzamide?
The IUPAC name of 3,4-dichloro-N-[2-(1H-indol-3-yl)ethyl]benzamide (CID 4879936) is 3,4-dichloro-N-[2-(1H-indol-3-yl)ethyl]benzamide.
What is the SMILES notation for 3,4-dichloro-N-[2-(1H-indol-3-yl)ethyl]benzamide?
The canonical SMILES for 3,4-dichloro-N-[2-(1H-indol-3-yl)ethyl]benzamide is O=C(NCCc1c[nH]c2ccccc12)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-[2-(1H-indol-3-yl)ethyl]benzamide?
The InChIKey is VPXFQXYYNWTVCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N2O/c18-14-6-5-11(9-15(14)19)17(22)20-8-7-12-10-21-16-4-2-1-3-13(12)16/h1-6,9-10,21H,7-8H2,(H,20,22).
What are the key properties of 3,4-dichloro-N-[2-(1H-indol-3-yl)ethyl]benzamide?
3,4-dichloro-N-[2-(1H-indol-3-yl)ethyl]benzamide has a molecular weight of 333.22 g/mol, XLogP of 4.45, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[2-(1H-indol-3-yl)ethyl]benzamide is sourced from PubChem (CID 4879936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).