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

C22H24FN3O3 — CID 71840637

IUPAC1-[(4-fluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)-2-oxo-3H-indole-5-carboxamide
SMILESO=C(NCCN1CCOCC1)c1ccc2c(c1)CC(=O)N2Cc1ccc(F)cc1
InChIInChI=1S/C22H24FN3O3/c23-19-4-1-16(2-5-19)15-26-20-6-3-17(13-18(20)14-21(26)27)22(28)24-7-8-25-9-11-29-12-10-25/h1-6,13H,7-12,14-15H2,(H,24,28)
InChIKeyMFBXBMHKDBBWJM-UHFFFAOYSA-N
MW397.45 g/mol
LogP1.98
Rot. Bonds6

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

1-[(4-fluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)-2-oxo-3H-indole-5-carboxamide (PubChem CID 71840637) has the molecular formula C22H24FN3O3 and a molecular weight of 397.45 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)-2-oxo-3H-indole-5-carboxamide.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)-2-oxo-3H-indole-5-carboxamide
PubChem CID71840637
Molecular FormulaC22H24FN3O3
Molecular Weight397.45 g/mol
Exact Mass397.18
IUPAC Name1-[(4-fluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)-2-oxo-3H-indole-5-carboxamide
SMILESO=C(NCCN1CCOCC1)c1ccc2c(c1)CC(=O)N2Cc1ccc(F)cc1
InChIInChI=1S/C22H24FN3O3/c23-19-4-1-16(2-5-19)15-26-20-6-3-17(13-18(20)14-21(26)27)22(28)24-7-8-25-9-11-29-12-10-25/h1-6,13H,7-12,14-15H2,(H,24,28)
InChIKeyMFBXBMHKDBBWJM-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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Related Compounds

N,1-bis[(4-fluorophenyl)methyl]-2-oxo-3H-indole-5-carboxamide
CID 71840635
1-N-[2-(4-fluorophenyl)ethyl]-4-N-(2-morpholin-4-ylethyl)benzene-1,4-dicarboxamide
CID 109045881
1-(4-fluorobenzoyl)-N-(2-morpholin-4-ylethyl)-2,3-dihydroindole-6-carboxamide
CID 53160375
N-[(3,5-difluorophenyl)methyl]-1-[(3-fluorophenyl)methyl]-2-oxo-3H-indole-5-carboxamide
CID 71840611
(2S)-1-(4-fluorophenyl)sulfonyl-2-methyl-N-(2-morpholin-4-ylethyl)-2,3-dihydroindole-5-carboxamide
CID 92671284
4-N-(2,4-difluorophenyl)-1-N-(2-morpholin-4-ylethyl)benzene-1,4-dicarboxamide
CID 109045931
N-[2-(4-fluorophenyl)ethyl]-2-(3-morpholin-4-ylpropyl)-1,3-dioxoisoindole-5-carboxamide
CID 25488068
3-bromo-4-fluoro-N-(2-morpholin-4-ylethyl)benzamide
CID 103706316
2-[2-(4-fluorophenyl)ethylamino]-N-(2-morpholin-4-ylethyl)pyridine-4-carboxamide
CID 109167930
1-benzyl-N-[1-(4-fluorophenyl)ethyl]-2-oxo-3H-indole-5-carboxamide
CID 71840648
N-(2-morpholin-4-ylethyl)-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide
CID 23474561
4-[(2-chloro-6-fluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)-3-oxo-1,4-benzothiazine-6-carboxamide
CID 3369833

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)-2-oxo-3H-indole-5-carboxamide?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)-2-oxo-3H-indole-5-carboxamide (CID 71840637) is 1-[(4-fluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)-2-oxo-3H-indole-5-carboxamide.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)-2-oxo-3H-indole-5-carboxamide?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)-2-oxo-3H-indole-5-carboxamide is O=C(NCCN1CCOCC1)c1ccc2c(c1)CC(=O)N2Cc1ccc(F)cc1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)-2-oxo-3H-indole-5-carboxamide?
The InChIKey is MFBXBMHKDBBWJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O3/c23-19-4-1-16(2-5-19)15-26-20-6-3-17(13-18(20)14-21(26)27)22(28)24-7-8-25-9-11-29-12-10-25/h1-6,13H,7-12,14-15H2,(H,24,28).
What are the key properties of 1-[(4-fluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)-2-oxo-3H-indole-5-carboxamide?
1-[(4-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-[(4-fluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)-2-oxo-3H-indole-5-carboxamide is sourced from PubChem (CID 71840637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).