N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-[(4-methoxyphenyl)methyl]benzamide

C25H23ClN2O2 — CID 86699400

IUPACN-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-[(4-methoxyphenyl)methyl]benzamide
SMILESCOc1ccc(Cc2cccc(C(=O)NCCc3c[nH]c4ccc(Cl)cc34)c2)cc1
InChIInChI=1S/C25H23ClN2O2/c1-30-22-8-5-17(6-9-22)13-18-3-2-4-19(14-18)25(29)27-12-11-20-16-28-24-10-7-21(26)15-23(20)24/h2-10,14-16,28H,11-13H2,1H3,(H,27,29)
InChIKeyUGUNKFGHNDZPTC-UHFFFAOYSA-N
MW418.92 g/mol
LogP5.39
Rot. Bonds7

About N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-[(4-methoxyphenyl)methyl]benzamide

N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-[(4-methoxyphenyl)methyl]benzamide (PubChem CID 86699400) has the molecular formula C25H23ClN2O2 and a molecular weight of 418.92 g/mol. Its IUPAC name is N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-[(4-methoxyphenyl)methyl]benzamide.

Molecular Properties

Compound NameN-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-[(4-methoxyphenyl)methyl]benzamide
PubChem CID86699400
Molecular FormulaC25H23ClN2O2
Molecular Weight418.92 g/mol
Exact Mass418.14
IUPAC NameN-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-[(4-methoxyphenyl)methyl]benzamide
SMILESCOc1ccc(Cc2cccc(C(=O)NCCc3c[nH]c4ccc(Cl)cc34)c2)cc1
InChIInChI=1S/C25H23ClN2O2/c1-30-22-8-5-17(6-9-22)13-18-3-2-4-19(14-18)25(29)27-12-11-20-16-28-24-10-7-21(26)15-23(20)24/h2-10,14-16,28H,11-13H2,1H3,(H,27,29)
InChIKeyUGUNKFGHNDZPTC-UHFFFAOYSA-N
XLogP5.39
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.92
LogP ≤ 55.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-[(4-methoxyphenyl)methyl]benzamide?
The IUPAC name of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-[(4-methoxyphenyl)methyl]benzamide (CID 86699400) is N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-[(4-methoxyphenyl)methyl]benzamide.
What is the SMILES notation for N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-[(4-methoxyphenyl)methyl]benzamide?
The canonical SMILES for N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-[(4-methoxyphenyl)methyl]benzamide is COc1ccc(Cc2cccc(C(=O)NCCc3c[nH]c4ccc(Cl)cc34)c2)cc1.
What is the InChIKey of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-[(4-methoxyphenyl)methyl]benzamide?
The InChIKey is UGUNKFGHNDZPTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN2O2/c1-30-22-8-5-17(6-9-22)13-18-3-2-4-19(14-18)25(29)27-12-11-20-16-28-24-10-7-21(26)15-23(20)24/h2-10,14-16,28H,11-13H2,1H3,(H,27,29).
What are the key properties of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-[(4-methoxyphenyl)methyl]benzamide?
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-[(4-methoxyphenyl)methyl]benzamide has a molecular weight of 418.92 g/mol, XLogP of 5.39, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-[(4-methoxyphenyl)methyl]benzamide is sourced from PubChem (CID 86699400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).