1-(5-fluoro-1,3-dihydroisoindol-2-yl)-2-naphthalen-1-yloxyethanone

C20H16FNO2 — CID 171682081

IUPAC1-(5-fluoro-1,3-dihydroisoindol-2-yl)-2-naphthalen-1-yloxyethanone
SMILESO=C(COc1cccc2ccccc12)N1Cc2ccc(F)cc2C1
InChIInChI=1S/C20H16FNO2/c21-17-9-8-15-11-22(12-16(15)10-17)20(23)13-24-19-7-3-5-14-4-1-2-6-18(14)19/h1-10H,11-13H2
InChIKeySLMUMFHBJVZCEK-UHFFFAOYSA-N
MW321.35 g/mol
LogP3.90
Rot. Bonds3

About 1-(5-fluoro-1,3-dihydroisoindol-2-yl)-2-naphthalen-1-yloxyethanone

1-(5-fluoro-1,3-dihydroisoindol-2-yl)-2-naphthalen-1-yloxyethanone (PubChem CID 171682081) has the molecular formula C20H16FNO2 and a molecular weight of 321.35 g/mol. Its IUPAC name is 1-(5-fluoro-1,3-dihydroisoindol-2-yl)-2-naphthalen-1-yloxyethanone.

Molecular Properties

Compound Name1-(5-fluoro-1,3-dihydroisoindol-2-yl)-2-naphthalen-1-yloxyethanone
PubChem CID171682081
Molecular FormulaC20H16FNO2
Molecular Weight321.35 g/mol
Exact Mass321.12
IUPAC Name1-(5-fluoro-1,3-dihydroisoindol-2-yl)-2-naphthalen-1-yloxyethanone
SMILESO=C(COc1cccc2ccccc12)N1Cc2ccc(F)cc2C1
InChIInChI=1S/C20H16FNO2/c21-17-9-8-15-11-22(12-16(15)10-17)20(23)13-24-19-7-3-5-14-4-1-2-6-18(14)19/h1-10H,11-13H2
InChIKeySLMUMFHBJVZCEK-UHFFFAOYSA-N
XLogP3.90
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.35
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-morpholin-4-yl-2-naphthalen-1-yloxyethanone
CID 954548
2-[4-(2-naphthalen-1-yloxyacetyl)piperazine-1-carbonyl]benzoic acid
CID 2050442
4-[4-(2-naphthalen-1-yloxyacetyl)piperazine-1-carbonyl]benzoic acid
CID 2050449
1-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-2-naphthalen-1-yloxyethanone
CID 128988413
2-[2-(aminomethyl)phenoxy]-1-(1,3-dihydroisoindol-2-yl)ethanone
CID 62204457
1-(2-naphthalen-1-yloxyacetyl)-4-phenylpiperidine-4-carboxylic acid
CID 45433455
1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-naphthalen-1-yloxyethanone
CID 112823841
3-(3-hydroxyphenoxy)-1-[4-(2-naphthalen-1-yloxyacetyl)piperazin-1-yl]propan-1-one
CID 4739811
1-(3-aminopiperidin-1-yl)-2-naphthalen-1-yloxyethanone;hydrochloride
CID 119379609
1-[4-(2,4-difluorophenoxy)piperidin-1-yl]-4-naphthalen-1-yloxybutan-1-one
CID 112836286
1-(4-methylsulfonyl-1,4-diazepan-1-yl)-2-naphthalen-1-yloxyethanone
CID 39977224
2-(5-fluoro-2-nitrophenoxy)-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]ethanone
CID 27905821

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-1,3-dihydroisoindol-2-yl)-2-naphthalen-1-yloxyethanone?
The IUPAC name of 1-(5-fluoro-1,3-dihydroisoindol-2-yl)-2-naphthalen-1-yloxyethanone (CID 171682081) is 1-(5-fluoro-1,3-dihydroisoindol-2-yl)-2-naphthalen-1-yloxyethanone.
What is the SMILES notation for 1-(5-fluoro-1,3-dihydroisoindol-2-yl)-2-naphthalen-1-yloxyethanone?
The canonical SMILES for 1-(5-fluoro-1,3-dihydroisoindol-2-yl)-2-naphthalen-1-yloxyethanone is O=C(COc1cccc2ccccc12)N1Cc2ccc(F)cc2C1.
What is the InChIKey of 1-(5-fluoro-1,3-dihydroisoindol-2-yl)-2-naphthalen-1-yloxyethanone?
The InChIKey is SLMUMFHBJVZCEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FNO2/c21-17-9-8-15-11-22(12-16(15)10-17)20(23)13-24-19-7-3-5-14-4-1-2-6-18(14)19/h1-10H,11-13H2.
What are the key properties of 1-(5-fluoro-1,3-dihydroisoindol-2-yl)-2-naphthalen-1-yloxyethanone?
1-(5-fluoro-1,3-dihydroisoindol-2-yl)-2-naphthalen-1-yloxyethanone has a molecular weight of 321.35 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-1,3-dihydroisoindol-2-yl)-2-naphthalen-1-yloxyethanone is sourced from PubChem (CID 171682081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).