1-[(4-fluorophenyl)methyl]-2,3-dimethyl-N-(2-morpholin-4-ylethyl)indole-5-carboxamide

C24H28FN3O2 — CID 20940221

IUPAC1-[(4-fluorophenyl)methyl]-2,3-dimethyl-N-(2-morpholin-4-ylethyl)indole-5-carboxamide
SMILESCc1c(C)n(Cc2ccc(F)cc2)c2ccc(C(=O)NCCN3CCOCC3)cc12
InChIInChI=1S/C24H28FN3O2/c1-17-18(2)28(16-19-3-6-21(25)7-4-19)23-8-5-20(15-22(17)23)24(29)26-9-10-27-11-13-30-14-12-27/h3-8,15H,9-14,16H2,1-2H3,(H,26,29)
InChIKeyRYVHPXCKPZYCLN-UHFFFAOYSA-N
MW409.51 g/mol
LogP3.51
Rot. Bonds6

About 1-[(4-fluorophenyl)methyl]-2,3-dimethyl-N-(2-morpholin-4-ylethyl)indole-5-carboxamide

1-[(4-fluorophenyl)methyl]-2,3-dimethyl-N-(2-morpholin-4-ylethyl)indole-5-carboxamide (PubChem CID 20940221) has the molecular formula C24H28FN3O2 and a molecular weight of 409.51 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-2,3-dimethyl-N-(2-morpholin-4-ylethyl)indole-5-carboxamide.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-2,3-dimethyl-N-(2-morpholin-4-ylethyl)indole-5-carboxamide
PubChem CID20940221
Molecular FormulaC24H28FN3O2
Molecular Weight409.51 g/mol
Exact Mass409.22
IUPAC Name1-[(4-fluorophenyl)methyl]-2,3-dimethyl-N-(2-morpholin-4-ylethyl)indole-5-carboxamide
SMILESCc1c(C)n(Cc2ccc(F)cc2)c2ccc(C(=O)NCCN3CCOCC3)cc12
InChIInChI=1S/C24H28FN3O2/c1-17-18(2)28(16-19-3-6-21(25)7-4-19)23-8-5-20(15-22(17)23)24(29)26-9-10-27-11-13-30-14-12-27/h3-8,15H,9-14,16H2,1-2H3,(H,26,29)
InChIKeyRYVHPXCKPZYCLN-UHFFFAOYSA-N
XLogP3.51
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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Tarazepide
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Indolyl quinolinone deriv. 10
CID 5329376
Indolyl quinolinone deriv. 11
CID 5329377

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-2,3-dimethyl-N-(2-morpholin-4-ylethyl)indole-5-carboxamide?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-2,3-dimethyl-N-(2-morpholin-4-ylethyl)indole-5-carboxamide (CID 20940221) is 1-[(4-fluorophenyl)methyl]-2,3-dimethyl-N-(2-morpholin-4-ylethyl)indole-5-carboxamide.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-2,3-dimethyl-N-(2-morpholin-4-ylethyl)indole-5-carboxamide?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-2,3-dimethyl-N-(2-morpholin-4-ylethyl)indole-5-carboxamide is Cc1c(C)n(Cc2ccc(F)cc2)c2ccc(C(=O)NCCN3CCOCC3)cc12.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-2,3-dimethyl-N-(2-morpholin-4-ylethyl)indole-5-carboxamide?
The InChIKey is RYVHPXCKPZYCLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN3O2/c1-17-18(2)28(16-19-3-6-21(25)7-4-19)23-8-5-20(15-22(17)23)24(29)26-9-10-27-11-13-30-14-12-27/h3-8,15H,9-14,16H2,1-2H3,(H,26,29).
What are the key properties of 1-[(4-fluorophenyl)methyl]-2,3-dimethyl-N-(2-morpholin-4-ylethyl)indole-5-carboxamide?
1-[(4-fluorophenyl)methyl]-2,3-dimethyl-N-(2-morpholin-4-ylethyl)indole-5-carboxamide has a molecular weight of 409.51 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-2,3-dimethyl-N-(2-morpholin-4-ylethyl)indole-5-carboxamide is sourced from PubChem (CID 20940221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).