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

C17H15ClN2O — CID 744384

IUPAC4-chloro-N-[2-(1H-indol-3-yl)ethyl]benzamide
SMILESO=C(NCCc1c[nH]c2ccccc12)c1ccc(Cl)cc1
InChIInChI=1S/C17H15ClN2O/c18-14-7-5-12(6-8-14)17(21)19-10-9-13-11-20-16-4-2-1-3-15(13)16/h1-8,11,20H,9-10H2,(H,19,21)
InChIKeyBKIHJPWFXBXXSR-UHFFFAOYSA-N
MW298.77 g/mol
LogP3.79
Rot. Bonds4

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

4-chloro-N-[2-(1H-indol-3-yl)ethyl]benzamide (PubChem CID 744384) has the molecular formula C17H15ClN2O and a molecular weight of 298.77 g/mol. Its IUPAC name is 4-chloro-N-[2-(1H-indol-3-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-(1H-indol-3-yl)ethyl]benzamide
PubChem CID744384
Molecular FormulaC17H15ClN2O
Molecular Weight298.77 g/mol
Exact Mass298.09
IUPAC Name4-chloro-N-[2-(1H-indol-3-yl)ethyl]benzamide
SMILESO=C(NCCc1c[nH]c2ccccc12)c1ccc(Cl)cc1
InChIInChI=1S/C17H15ClN2O/c18-14-7-5-12(6-8-14)17(21)19-10-9-13-11-20-16-4-2-1-3-15(13)16/h1-8,11,20H,9-10H2,(H,19,21)
InChIKeyBKIHJPWFXBXXSR-UHFFFAOYSA-N
XLogP3.79
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(1H-indol-3-yl)ethyl]benzamide?
The IUPAC name of 4-chloro-N-[2-(1H-indol-3-yl)ethyl]benzamide (CID 744384) is 4-chloro-N-[2-(1H-indol-3-yl)ethyl]benzamide.
What is the SMILES notation for 4-chloro-N-[2-(1H-indol-3-yl)ethyl]benzamide?
The canonical SMILES for 4-chloro-N-[2-(1H-indol-3-yl)ethyl]benzamide is O=C(NCCc1c[nH]c2ccccc12)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[2-(1H-indol-3-yl)ethyl]benzamide?
The InChIKey is BKIHJPWFXBXXSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O/c18-14-7-5-12(6-8-14)17(21)19-10-9-13-11-20-16-4-2-1-3-15(13)16/h1-8,11,20H,9-10H2,(H,19,21).
What are the key properties of 4-chloro-N-[2-(1H-indol-3-yl)ethyl]benzamide?
4-chloro-N-[2-(1H-indol-3-yl)ethyl]benzamide has a molecular weight of 298.77 g/mol, XLogP of 3.79, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(1H-indol-3-yl)ethyl]benzamide is sourced from PubChem (CID 744384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).