3-anilino-N-[2-(5-chloro-1H-indol-3-yl)ethyl]benzamide

C23H20ClN3O — CID 71451287

IUPAC3-anilino-N-[2-(5-chloro-1H-indol-3-yl)ethyl]benzamide
SMILESO=C(NCCc1c[nH]c2ccc(Cl)cc12)c1cccc(Nc2ccccc2)c1
InChIInChI=1S/C23H20ClN3O/c24-18-9-10-22-21(14-18)17(15-26-22)11-12-25-23(28)16-5-4-8-20(13-16)27-19-6-2-1-3-7-19/h1-10,13-15,26-27H,11-12H2,(H,25,28)
InChIKeyOKEVZIMBLALLMG-UHFFFAOYSA-N
MW389.89 g/mol
LogP5.54
Rot. Bonds6

About 3-anilino-N-[2-(5-chloro-1H-indol-3-yl)ethyl]benzamide

3-anilino-N-[2-(5-chloro-1H-indol-3-yl)ethyl]benzamide (PubChem CID 71451287) has the molecular formula C23H20ClN3O and a molecular weight of 389.89 g/mol. Its IUPAC name is 3-anilino-N-[2-(5-chloro-1H-indol-3-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-anilino-N-[2-(5-chloro-1H-indol-3-yl)ethyl]benzamide
PubChem CID71451287
Molecular FormulaC23H20ClN3O
Molecular Weight389.89 g/mol
Exact Mass389.13
IUPAC Name3-anilino-N-[2-(5-chloro-1H-indol-3-yl)ethyl]benzamide
SMILESO=C(NCCc1c[nH]c2ccc(Cl)cc12)c1cccc(Nc2ccccc2)c1
InChIInChI=1S/C23H20ClN3O/c24-18-9-10-22-21(14-18)17(15-26-22)11-12-25-23(28)16-5-4-8-20(13-16)27-19-6-2-1-3-7-19/h1-10,13-15,26-27H,11-12H2,(H,25,28)
InChIKeyOKEVZIMBLALLMG-UHFFFAOYSA-N
XLogP5.54
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.89
LogP ≤ 55.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-anilino-N-[2-(5-chloro-1H-indol-3-yl)ethyl]benzamide?
The IUPAC name of 3-anilino-N-[2-(5-chloro-1H-indol-3-yl)ethyl]benzamide (CID 71451287) is 3-anilino-N-[2-(5-chloro-1H-indol-3-yl)ethyl]benzamide.
What is the SMILES notation for 3-anilino-N-[2-(5-chloro-1H-indol-3-yl)ethyl]benzamide?
The canonical SMILES for 3-anilino-N-[2-(5-chloro-1H-indol-3-yl)ethyl]benzamide is O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1cccc(Nc2ccccc2)c1.
What is the InChIKey of 3-anilino-N-[2-(5-chloro-1H-indol-3-yl)ethyl]benzamide?
The InChIKey is OKEVZIMBLALLMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN3O/c24-18-9-10-22-21(14-18)17(15-26-22)11-12-25-23(28)16-5-4-8-20(13-16)27-19-6-2-1-3-7-19/h1-10,13-15,26-27H,11-12H2,(H,25,28).
What are the key properties of 3-anilino-N-[2-(5-chloro-1H-indol-3-yl)ethyl]benzamide?
3-anilino-N-[2-(5-chloro-1H-indol-3-yl)ethyl]benzamide has a molecular weight of 389.89 g/mol, XLogP of 5.54, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-anilino-N-[2-(5-chloro-1H-indol-3-yl)ethyl]benzamide is sourced from PubChem (CID 71451287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).