2-(3-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-1,3-dioxoisoindole-5-carboxamide

C22H22FN3O4 — CID 69279118

IUPAC2-(3-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-1,3-dioxoisoindole-5-carboxamide
SMILESO=C(NCCCN1CCOCC1)c1ccc2c(c1)C(=O)N(c1cccc(F)c1)C2=O
InChIInChI=1S/C22H22FN3O4/c23-16-3-1-4-17(14-16)26-21(28)18-6-5-15(13-19(18)22(26)29)20(27)24-7-2-8-25-9-11-30-12-10-25/h1,3-6,13-14H,2,7-12H2,(H,24,27)
InChIKeyPZHCAWQJTQPWJT-UHFFFAOYSA-N
MW411.43 g/mol
LogP2.08
Rot. Bonds6

About 2-(3-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-1,3-dioxoisoindole-5-carboxamide

2-(3-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-1,3-dioxoisoindole-5-carboxamide (PubChem CID 69279118) has the molecular formula C22H22FN3O4 and a molecular weight of 411.43 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound Name2-(3-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-1,3-dioxoisoindole-5-carboxamide
PubChem CID69279118
Molecular FormulaC22H22FN3O4
Molecular Weight411.43 g/mol
Exact Mass411.16
IUPAC Name2-(3-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-1,3-dioxoisoindole-5-carboxamide
SMILESO=C(NCCCN1CCOCC1)c1ccc2c(c1)C(=O)N(c1cccc(F)c1)C2=O
InChIInChI=1S/C22H22FN3O4/c23-16-3-1-4-17(14-16)26-21(28)18-6-5-15(13-19(18)22(26)29)20(27)24-7-2-8-25-9-11-30-12-10-25/h1,3-6,13-14H,2,7-12H2,(H,24,27)
InChIKeyPZHCAWQJTQPWJT-UHFFFAOYSA-N
XLogP2.08
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.43
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)-1,3-dioxoisoindole-5-carboxamide
CID 24784519
2-[(3-fluorophenyl)methyl]-1,3-dioxo-N-(3-pyrrolidin-1-ylpropyl)isoindole-5-carboxamide
CID 69277947
N-[2-(4-fluorophenyl)ethyl]-2-(3-morpholin-4-ylpropyl)-1,3-dioxoisoindole-5-carboxamide
CID 25488068
2-[(3-chlorophenyl)methyl]-N-(3-morpholin-4-ylpropyl)-1,3-dioxoisoindole-5-carboxamide;hydrochloride
CID 24785779
2-(2-fluorophenyl)-1,3-dioxo-N-(3-pyrrolidin-1-ylpropyl)isoindole-5-carboxamide;hydrochloride
CID 24783746
3-hydroxy-N-(3-morpholin-4-ylpropyl)benzamide
CID 43236314
2-(3-chlorophenyl)-1,3-dioxo-N-(2-piperidin-1-ylethyl)isoindole-5-carboxamide
CID 69277588
2-[(3-methoxyphenyl)methyl]-N-(3-morpholin-4-ylpropyl)-1,3-dioxoisoindole-5-carboxamide;hydrochloride
CID 24782980
1-N,4-N-bis(3-morpholin-4-ylpropyl)benzene-1,4-dicarboxamide;hydrochloride
CID 54609927
3,4-difluoro-N-(4-morpholin-4-ylbutyl)benzamide
CID 51082239
1-(3-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-2-oxopyrrolidine-3-carboxamide
CID 46062378
3-fluoro-N-[4-(2-morpholin-4-ylethylcarbamoyl)phenyl]benzamide
CID 48581644

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of 2-(3-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-1,3-dioxoisoindole-5-carboxamide (CID 69279118) is 2-(3-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for 2-(3-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for 2-(3-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-1,3-dioxoisoindole-5-carboxamide is O=C(NCCCN1CCOCC1)c1ccc2c(c1)C(=O)N(c1cccc(F)c1)C2=O.
What is the InChIKey of 2-(3-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is PZHCAWQJTQPWJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O4/c23-16-3-1-4-17(14-16)26-21(28)18-6-5-15(13-19(18)22(26)29)20(27)24-7-2-8-25-9-11-30-12-10-25/h1,3-6,13-14H,2,7-12H2,(H,24,27).
What are the key properties of 2-(3-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-1,3-dioxoisoindole-5-carboxamide?
2-(3-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 411.43 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 69279118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).