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

C20H17FN2O3 — CID 9213923

IUPACN-cyclopentyl-2-(4-fluorophenyl)-1,3-dioxoisoindole-5-carboxamide
SMILESO=C(NC1CCCC1)c1ccc2c(c1)C(=O)N(c1ccc(F)cc1)C2=O
InChIInChI=1S/C20H17FN2O3/c21-13-6-8-15(9-7-13)23-19(25)16-10-5-12(11-17(16)20(23)26)18(24)22-14-3-1-2-4-14/h5-11,14H,1-4H2,(H,22,24)
InChIKeyAZIPZHIDUMUQHH-UHFFFAOYSA-N
MW352.37 g/mol
LogP3.30
Rot. Bonds3

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

N-cyclopentyl-2-(4-fluorophenyl)-1,3-dioxoisoindole-5-carboxamide (PubChem CID 9213923) has the molecular formula C20H17FN2O3 and a molecular weight of 352.37 g/mol. Its IUPAC name is N-cyclopentyl-2-(4-fluorophenyl)-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(4-fluorophenyl)-1,3-dioxoisoindole-5-carboxamide
PubChem CID9213923
Molecular FormulaC20H17FN2O3
Molecular Weight352.37 g/mol
Exact Mass352.12
IUPAC NameN-cyclopentyl-2-(4-fluorophenyl)-1,3-dioxoisoindole-5-carboxamide
SMILESO=C(NC1CCCC1)c1ccc2c(c1)C(=O)N(c1ccc(F)cc1)C2=O
InChIInChI=1S/C20H17FN2O3/c21-13-6-8-15(9-7-13)23-19(25)16-10-5-12(11-17(16)20(23)26)18(24)22-14-3-1-2-4-14/h5-11,14H,1-4H2,(H,22,24)
InChIKeyAZIPZHIDUMUQHH-UHFFFAOYSA-N
XLogP3.30
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopentyl-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 6460881
2-(4-fluorophenyl)-N-methyl-1,3-dioxoisoindole-5-carboxamide
CID 146122876
5-(4-fluorobenzoyl)-2-[4-[5-(4-fluorobenzoyl)-1,3-dioxoisoindol-2-yl]phenyl]isoindole-1,3-dione
CID 102076477
2-(4-fluorophenyl)-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]-1,3-dioxoisoindole-5-carboxamide
CID 9473131
[(1R)-2-oxocyclohexyl] 2-(4-fluorophenyl)-1,3-dioxoisoindole-5-carboxylate
CID 7738400
2-(4-fluorophenyl)-N-[2-(2-fluorophenyl)ethyl]-1,3-dioxoisoindole-5-carboxamide
CID 8643091
2-(4-fluorophenyl)-N-[2-(4-methylphenoxy)ethyl]-1,3-dioxoisoindole-5-carboxamide
CID 9365829
2-cyclohexyl-1,3-dioxo-N-pyrrolidin-3-ylisoindole-5-carboxamide;hydrochloride
CID 119450760
2-cyclohexyl-1,3-dioxo-N-[3-(trifluoromethyl)cyclohexyl]isoindole-5-carboxamide
CID 55534849
N-(2-ethylphenyl)-2-(4-fluorophenyl)-1,3-dioxoisoindole-5-carboxamide
CID 1329424
methyl (2S)-2-[[2-(4-fluorophenyl)-1,3-dioxoisoindole-5-carbonyl]amino]-3-hydroxypropanoate
CID 9277860
N-cyclopentyl-3-(4-fluorophenyl)-1-oxo-3,4-dihydroisochromene-6-carboxamide
CID 43845126

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(4-fluorophenyl)-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of N-cyclopentyl-2-(4-fluorophenyl)-1,3-dioxoisoindole-5-carboxamide (CID 9213923) is N-cyclopentyl-2-(4-fluorophenyl)-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for N-cyclopentyl-2-(4-fluorophenyl)-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for N-cyclopentyl-2-(4-fluorophenyl)-1,3-dioxoisoindole-5-carboxamide is O=C(NC1CCCC1)c1ccc2c(c1)C(=O)N(c1ccc(F)cc1)C2=O.
What is the InChIKey of N-cyclopentyl-2-(4-fluorophenyl)-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is AZIPZHIDUMUQHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O3/c21-13-6-8-15(9-7-13)23-19(25)16-10-5-12(11-17(16)20(23)26)18(24)22-14-3-1-2-4-14/h5-11,14H,1-4H2,(H,22,24).
What are the key properties of N-cyclopentyl-2-(4-fluorophenyl)-1,3-dioxoisoindole-5-carboxamide?
N-cyclopentyl-2-(4-fluorophenyl)-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 352.37 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(4-fluorophenyl)-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 9213923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).