1-ethyl-5-[(4-fluorobenzoyl)amino]-N-(2-morpholin-4-ylethyl)indole-2-carboxamide

C24H27FN4O3 — CID 83282701

IUPAC1-ethyl-5-[(4-fluorobenzoyl)amino]-N-(2-morpholin-4-ylethyl)indole-2-carboxamide
SMILESCCn1c(C(=O)NCCN2CCOCC2)cc2cc(NC(=O)c3ccc(F)cc3)ccc21
InChIInChI=1S/C24H27FN4O3/c1-2-29-21-8-7-20(27-23(30)17-3-5-19(25)6-4-17)15-18(21)16-22(29)24(31)26-9-10-28-11-13-32-14-12-28/h3-8,15-16H,2,9-14H2,1H3,(H,26,31)(H,27,30)
InChIKeyBDGLRILCBOEIRW-UHFFFAOYSA-N
MW438.50 g/mol
LogP3.11
Rot. Bonds7

About 1-ethyl-5-[(4-fluorobenzoyl)amino]-N-(2-morpholin-4-ylethyl)indole-2-carboxamide

1-ethyl-5-[(4-fluorobenzoyl)amino]-N-(2-morpholin-4-ylethyl)indole-2-carboxamide (PubChem CID 83282701) has the molecular formula C24H27FN4O3 and a molecular weight of 438.50 g/mol. Its IUPAC name is 1-ethyl-5-[(4-fluorobenzoyl)amino]-N-(2-morpholin-4-ylethyl)indole-2-carboxamide.

Molecular Properties

Compound Name1-ethyl-5-[(4-fluorobenzoyl)amino]-N-(2-morpholin-4-ylethyl)indole-2-carboxamide
PubChem CID83282701
Molecular FormulaC24H27FN4O3
Molecular Weight438.50 g/mol
Exact Mass438.21
IUPAC Name1-ethyl-5-[(4-fluorobenzoyl)amino]-N-(2-morpholin-4-ylethyl)indole-2-carboxamide
SMILESCCn1c(C(=O)NCCN2CCOCC2)cc2cc(NC(=O)c3ccc(F)cc3)ccc21
InChIInChI=1S/C24H27FN4O3/c1-2-29-21-8-7-20(27-23(30)17-3-5-19(25)6-4-17)15-18(21)16-22(29)24(31)26-9-10-28-11-13-32-14-12-28/h3-8,15-16H,2,9-14H2,1H3,(H,26,31)(H,27,30)
InChIKeyBDGLRILCBOEIRW-UHFFFAOYSA-N
XLogP3.11
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.50
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-[(4-fluorobenzoyl)amino]-N-(2-morpholin-4-ylethyl)indole-2-carboxamide?
The IUPAC name of 1-ethyl-5-[(4-fluorobenzoyl)amino]-N-(2-morpholin-4-ylethyl)indole-2-carboxamide (CID 83282701) is 1-ethyl-5-[(4-fluorobenzoyl)amino]-N-(2-morpholin-4-ylethyl)indole-2-carboxamide.
What is the SMILES notation for 1-ethyl-5-[(4-fluorobenzoyl)amino]-N-(2-morpholin-4-ylethyl)indole-2-carboxamide?
The canonical SMILES for 1-ethyl-5-[(4-fluorobenzoyl)amino]-N-(2-morpholin-4-ylethyl)indole-2-carboxamide is CCn1c(C(=O)NCCN2CCOCC2)cc2cc(NC(=O)c3ccc(F)cc3)ccc21.
What is the InChIKey of 1-ethyl-5-[(4-fluorobenzoyl)amino]-N-(2-morpholin-4-ylethyl)indole-2-carboxamide?
The InChIKey is BDGLRILCBOEIRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN4O3/c1-2-29-21-8-7-20(27-23(30)17-3-5-19(25)6-4-17)15-18(21)16-22(29)24(31)26-9-10-28-11-13-32-14-12-28/h3-8,15-16H,2,9-14H2,1H3,(H,26,31)(H,27,30).
What are the key properties of 1-ethyl-5-[(4-fluorobenzoyl)amino]-N-(2-morpholin-4-ylethyl)indole-2-carboxamide?
1-ethyl-5-[(4-fluorobenzoyl)amino]-N-(2-morpholin-4-ylethyl)indole-2-carboxamide has a molecular weight of 438.50 g/mol, XLogP of 3.11, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-[(4-fluorobenzoyl)amino]-N-(2-morpholin-4-ylethyl)indole-2-carboxamide is sourced from PubChem (CID 83282701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).