5-chloro-N-[2-(4-morpholin-4-ylphenyl)ethyl]-3-pentyl-1H-indole-2-carboxamide

C26H32ClN3O2 — CID 72713186

IUPAC5-chloro-N-[2-(4-morpholin-4-ylphenyl)ethyl]-3-pentyl-1H-indole-2-carboxamide
SMILESCCCCCc1c(C(=O)NCCc2ccc(N3CCOCC3)cc2)[nH]c2ccc(Cl)cc12
InChIInChI=1S/C26H32ClN3O2/c1-2-3-4-5-22-23-18-20(27)8-11-24(23)29-25(22)26(31)28-13-12-19-6-9-21(10-7-19)30-14-16-32-17-15-30/h6-11,18,29H,2-5,12-17H2,1H3,(H,28,31)
InChIKeyAYARJPVOTXCYHD-UHFFFAOYSA-N
MW454.01 g/mol
LogP5.36
Rot. Bonds9

About 5-chloro-N-[2-(4-morpholin-4-ylphenyl)ethyl]-3-pentyl-1H-indole-2-carboxamide

5-chloro-N-[2-(4-morpholin-4-ylphenyl)ethyl]-3-pentyl-1H-indole-2-carboxamide (PubChem CID 72713186) has the molecular formula C26H32ClN3O2 and a molecular weight of 454.01 g/mol. Its IUPAC name is 5-chloro-N-[2-(4-morpholin-4-ylphenyl)ethyl]-3-pentyl-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[2-(4-morpholin-4-ylphenyl)ethyl]-3-pentyl-1H-indole-2-carboxamide
PubChem CID72713186
Molecular FormulaC26H32ClN3O2
Molecular Weight454.01 g/mol
Exact Mass453.22
IUPAC Name5-chloro-N-[2-(4-morpholin-4-ylphenyl)ethyl]-3-pentyl-1H-indole-2-carboxamide
SMILESCCCCCc1c(C(=O)NCCc2ccc(N3CCOCC3)cc2)[nH]c2ccc(Cl)cc12
InChIInChI=1S/C26H32ClN3O2/c1-2-3-4-5-22-23-18-20(27)8-11-24(23)29-25(22)26(31)28-13-12-19-6-9-21(10-7-19)30-14-16-32-17-15-30/h6-11,18,29H,2-5,12-17H2,1H3,(H,28,31)
InChIKeyAYARJPVOTXCYHD-UHFFFAOYSA-N
XLogP5.36
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.01
LogP ≤ 55.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(4-morpholin-4-ylphenyl)ethyl]-3-pentyl-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-N-[2-(4-morpholin-4-ylphenyl)ethyl]-3-pentyl-1H-indole-2-carboxamide (CID 72713186) is 5-chloro-N-[2-(4-morpholin-4-ylphenyl)ethyl]-3-pentyl-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[2-(4-morpholin-4-ylphenyl)ethyl]-3-pentyl-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-N-[2-(4-morpholin-4-ylphenyl)ethyl]-3-pentyl-1H-indole-2-carboxamide is CCCCCc1c(C(=O)NCCc2ccc(N3CCOCC3)cc2)[nH]c2ccc(Cl)cc12.
What is the InChIKey of 5-chloro-N-[2-(4-morpholin-4-ylphenyl)ethyl]-3-pentyl-1H-indole-2-carboxamide?
The InChIKey is AYARJPVOTXCYHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32ClN3O2/c1-2-3-4-5-22-23-18-20(27)8-11-24(23)29-25(22)26(31)28-13-12-19-6-9-21(10-7-19)30-14-16-32-17-15-30/h6-11,18,29H,2-5,12-17H2,1H3,(H,28,31).
What are the key properties of 5-chloro-N-[2-(4-morpholin-4-ylphenyl)ethyl]-3-pentyl-1H-indole-2-carboxamide?
5-chloro-N-[2-(4-morpholin-4-ylphenyl)ethyl]-3-pentyl-1H-indole-2-carboxamide has a molecular weight of 454.01 g/mol, XLogP of 5.36, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(4-morpholin-4-ylphenyl)ethyl]-3-pentyl-1H-indole-2-carboxamide is sourced from PubChem (CID 72713186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).