2-[(1S,2R)-2-fluorocyclopropyl]-3-methoxy-3-naphthalen-1-ylisoindol-1-one

C22H18FNO2 — CID 101343614

IUPAC2-[(1S,2R)-2-fluorocyclopropyl]-3-methoxy-3-naphthalen-1-ylisoindol-1-one
SMILESCOC1(c2cccc3ccccc23)c2ccccc2C(=O)N1[C@H]1C[C@H]1F
InChIInChI=1S/C22H18FNO2/c1-26-22(17-12-6-8-14-7-2-3-9-15(14)17)18-11-5-4-10-16(18)21(25)24(22)20-13-19(20)23/h2-12,19-20H,13H2,1H3/t19-,20+,22?/m1/s1
InChIKeyYUCMOYOLXMNHOB-MFCMXAAESA-N
MW347.39 g/mol
LogP4.25
Rot. Bonds3

About 2-[(1S,2R)-2-fluorocyclopropyl]-3-methoxy-3-naphthalen-1-ylisoindol-1-one

2-[(1S,2R)-2-fluorocyclopropyl]-3-methoxy-3-naphthalen-1-ylisoindol-1-one (PubChem CID 101343614) has the molecular formula C22H18FNO2 and a molecular weight of 347.39 g/mol. Its IUPAC name is 2-[(1S,2R)-2-fluorocyclopropyl]-3-methoxy-3-naphthalen-1-ylisoindol-1-one.

Molecular Properties

Compound Name2-[(1S,2R)-2-fluorocyclopropyl]-3-methoxy-3-naphthalen-1-ylisoindol-1-one
PubChem CID101343614
Molecular FormulaC22H18FNO2
Molecular Weight347.39 g/mol
Exact Mass347.13
IUPAC Name2-[(1S,2R)-2-fluorocyclopropyl]-3-methoxy-3-naphthalen-1-ylisoindol-1-one
SMILESCOC1(c2cccc3ccccc23)c2ccccc2C(=O)N1[C@H]1C[C@H]1F
InChIInChI=1S/C22H18FNO2/c1-26-22(17-12-6-8-14-7-2-3-9-15(14)17)18-11-5-4-10-16(18)21(25)24(22)20-13-19(20)23/h2-12,19-20H,13H2,1H3/t19-,20+,22?/m1/s1
InChIKeyYUCMOYOLXMNHOB-MFCMXAAESA-N
XLogP4.25
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(1S,2R)-2-fluorocyclopropyl]-3-methoxy-3-naphthalen-1-ylisoindol-1-one?
The IUPAC name of 2-[(1S,2R)-2-fluorocyclopropyl]-3-methoxy-3-naphthalen-1-ylisoindol-1-one (CID 101343614) is 2-[(1S,2R)-2-fluorocyclopropyl]-3-methoxy-3-naphthalen-1-ylisoindol-1-one.
What is the SMILES notation for 2-[(1S,2R)-2-fluorocyclopropyl]-3-methoxy-3-naphthalen-1-ylisoindol-1-one?
The canonical SMILES for 2-[(1S,2R)-2-fluorocyclopropyl]-3-methoxy-3-naphthalen-1-ylisoindol-1-one is COC1(c2cccc3ccccc23)c2ccccc2C(=O)N1[C@H]1C[C@H]1F.
What is the InChIKey of 2-[(1S,2R)-2-fluorocyclopropyl]-3-methoxy-3-naphthalen-1-ylisoindol-1-one?
The InChIKey is YUCMOYOLXMNHOB-MFCMXAAESA-N. The full InChI is InChI=1S/C22H18FNO2/c1-26-22(17-12-6-8-14-7-2-3-9-15(14)17)18-11-5-4-10-16(18)21(25)24(22)20-13-19(20)23/h2-12,19-20H,13H2,1H3/t19-,20+,22?/m1/s1.
What are the key properties of 2-[(1S,2R)-2-fluorocyclopropyl]-3-methoxy-3-naphthalen-1-ylisoindol-1-one?
2-[(1S,2R)-2-fluorocyclopropyl]-3-methoxy-3-naphthalen-1-ylisoindol-1-one has a molecular weight of 347.39 g/mol, XLogP of 4.25, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,2R)-2-fluorocyclopropyl]-3-methoxy-3-naphthalen-1-ylisoindol-1-one is sourced from PubChem (CID 101343614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).