2-(1,3-dihydroisoindol-2-yl)-N-[1-(4-fluorophenyl)cyclopentyl]acetamide

C21H23FN2O — CID 95806989

IUPAC2-(1,3-dihydroisoindol-2-yl)-N-[1-(4-fluorophenyl)cyclopentyl]acetamide
SMILESO=C(CN1Cc2ccccc2C1)NC1(c2ccc(F)cc2)CCCC1
InChIInChI=1S/C21H23FN2O/c22-19-9-7-18(8-10-19)21(11-3-4-12-21)23-20(25)15-24-13-16-5-1-2-6-17(16)14-24/h1-2,5-10H,3-4,11-15H2,(H,23,25)
InChIKeyGEJOOBDNASVKJY-UHFFFAOYSA-N
MW338.43 g/mol
LogP3.73
Rot. Bonds4

About 2-(1,3-dihydroisoindol-2-yl)-N-[1-(4-fluorophenyl)cyclopentyl]acetamide

2-(1,3-dihydroisoindol-2-yl)-N-[1-(4-fluorophenyl)cyclopentyl]acetamide (PubChem CID 95806989) has the molecular formula C21H23FN2O and a molecular weight of 338.43 g/mol. Its IUPAC name is 2-(1,3-dihydroisoindol-2-yl)-N-[1-(4-fluorophenyl)cyclopentyl]acetamide.

Molecular Properties

Compound Name2-(1,3-dihydroisoindol-2-yl)-N-[1-(4-fluorophenyl)cyclopentyl]acetamide
PubChem CID95806989
Molecular FormulaC21H23FN2O
Molecular Weight338.43 g/mol
Exact Mass338.18
IUPAC Name2-(1,3-dihydroisoindol-2-yl)-N-[1-(4-fluorophenyl)cyclopentyl]acetamide
SMILESO=C(CN1Cc2ccccc2C1)NC1(c2ccc(F)cc2)CCCC1
InChIInChI=1S/C21H23FN2O/c22-19-9-7-18(8-10-19)21(11-3-4-12-21)23-20(25)15-24-13-16-5-1-2-6-17(16)14-24/h1-2,5-10H,3-4,11-15H2,(H,23,25)
InChIKeyGEJOOBDNASVKJY-UHFFFAOYSA-N
XLogP3.73
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dihydroisoindol-2-yl)-N-[1-(4-fluorophenyl)cyclopentyl]acetamide?
The IUPAC name of 2-(1,3-dihydroisoindol-2-yl)-N-[1-(4-fluorophenyl)cyclopentyl]acetamide (CID 95806989) is 2-(1,3-dihydroisoindol-2-yl)-N-[1-(4-fluorophenyl)cyclopentyl]acetamide.
What is the SMILES notation for 2-(1,3-dihydroisoindol-2-yl)-N-[1-(4-fluorophenyl)cyclopentyl]acetamide?
The canonical SMILES for 2-(1,3-dihydroisoindol-2-yl)-N-[1-(4-fluorophenyl)cyclopentyl]acetamide is O=C(CN1Cc2ccccc2C1)NC1(c2ccc(F)cc2)CCCC1.
What is the InChIKey of 2-(1,3-dihydroisoindol-2-yl)-N-[1-(4-fluorophenyl)cyclopentyl]acetamide?
The InChIKey is GEJOOBDNASVKJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O/c22-19-9-7-18(8-10-19)21(11-3-4-12-21)23-20(25)15-24-13-16-5-1-2-6-17(16)14-24/h1-2,5-10H,3-4,11-15H2,(H,23,25).
What are the key properties of 2-(1,3-dihydroisoindol-2-yl)-N-[1-(4-fluorophenyl)cyclopentyl]acetamide?
2-(1,3-dihydroisoindol-2-yl)-N-[1-(4-fluorophenyl)cyclopentyl]acetamide has a molecular weight of 338.43 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dihydroisoindol-2-yl)-N-[1-(4-fluorophenyl)cyclopentyl]acetamide is sourced from PubChem (CID 95806989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).