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

C22H24FN3O3 — CID 71840613

IUPAC1-[(3-fluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)-2-oxo-3H-indole-5-carboxamide
SMILESO=C(NCCN1CCOCC1)c1ccc2c(c1)CC(=O)N2Cc1cccc(F)c1
InChIInChI=1S/C22H24FN3O3/c23-19-3-1-2-16(12-19)15-26-20-5-4-17(13-18(20)14-21(26)27)22(28)24-6-7-25-8-10-29-11-9-25/h1-5,12-13H,6-11,14-15H2,(H,24,28)
InChIKeyFAWGQICMXUHZOL-UHFFFAOYSA-N
MW397.45 g/mol
LogP1.98
Rot. Bonds6

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

1-[(3-fluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)-2-oxo-3H-indole-5-carboxamide (PubChem CID 71840613) has the molecular formula C22H24FN3O3 and a molecular weight of 397.45 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)-2-oxo-3H-indole-5-carboxamide.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)-2-oxo-3H-indole-5-carboxamide
PubChem CID71840613
Molecular FormulaC22H24FN3O3
Molecular Weight397.45 g/mol
Exact Mass397.18
IUPAC Name1-[(3-fluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)-2-oxo-3H-indole-5-carboxamide
SMILESO=C(NCCN1CCOCC1)c1ccc2c(c1)CC(=O)N2Cc1cccc(F)c1
InChIInChI=1S/C22H24FN3O3/c23-19-3-1-2-16(12-19)15-26-20-5-4-17(13-18(20)14-21(26)27)22(28)24-6-7-25-8-10-29-11-9-25/h1-5,12-13H,6-11,14-15H2,(H,24,28)
InChIKeyFAWGQICMXUHZOL-UHFFFAOYSA-N
XLogP1.98
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.45
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)-2-oxo-3H-indole-5-carboxamide?
The IUPAC name of 1-[(3-fluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)-2-oxo-3H-indole-5-carboxamide (CID 71840613) is 1-[(3-fluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)-2-oxo-3H-indole-5-carboxamide.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)-2-oxo-3H-indole-5-carboxamide?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)-2-oxo-3H-indole-5-carboxamide is O=C(NCCN1CCOCC1)c1ccc2c(c1)CC(=O)N2Cc1cccc(F)c1.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)-2-oxo-3H-indole-5-carboxamide?
The InChIKey is FAWGQICMXUHZOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O3/c23-19-3-1-2-16(12-19)15-26-20-5-4-17(13-18(20)14-21(26)27)22(28)24-6-7-25-8-10-29-11-9-25/h1-5,12-13H,6-11,14-15H2,(H,24,28).
What are the key properties of 1-[(3-fluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)-2-oxo-3H-indole-5-carboxamide?
1-[(3-fluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)-2-oxo-3H-indole-5-carboxamide has a molecular weight of 397.45 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)-2-oxo-3H-indole-5-carboxamide is sourced from PubChem (CID 71840613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).