1-(2,5-difluorophenyl)-2-(1,3-dihydroisoindol-2-yl)ethanone

C16H13F2NO — CID 62206765

IUPAC1-(2,5-difluorophenyl)-2-(1,3-dihydroisoindol-2-yl)ethanone
SMILESO=C(CN1Cc2ccccc2C1)c1cc(F)ccc1F
InChIInChI=1S/C16H13F2NO/c17-13-5-6-15(18)14(7-13)16(20)10-19-8-11-3-1-2-4-12(11)9-19/h1-7H,8-10H2
InChIKeyJKYZRCQBNDKBSC-UHFFFAOYSA-N
MW273.28 g/mol
LogP3.16
Rot. Bonds3

About 1-(2,5-difluorophenyl)-2-(1,3-dihydroisoindol-2-yl)ethanone

1-(2,5-difluorophenyl)-2-(1,3-dihydroisoindol-2-yl)ethanone (PubChem CID 62206765) has the molecular formula C16H13F2NO and a molecular weight of 273.28 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-2-(1,3-dihydroisoindol-2-yl)ethanone.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-2-(1,3-dihydroisoindol-2-yl)ethanone
PubChem CID62206765
Molecular FormulaC16H13F2NO
Molecular Weight273.28 g/mol
Exact Mass273.10
IUPAC Name1-(2,5-difluorophenyl)-2-(1,3-dihydroisoindol-2-yl)ethanone
SMILESO=C(CN1Cc2ccccc2C1)c1cc(F)ccc1F
InChIInChI=1S/C16H13F2NO/c17-13-5-6-15(18)14(7-13)16(20)10-19-8-11-3-1-2-4-12(11)9-19/h1-7H,8-10H2
InChIKeyJKYZRCQBNDKBSC-UHFFFAOYSA-N
XLogP3.16
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.28
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-(2,5-difluorophenyl)-2-oxoethyl]piperazine-1-carbaldehyde
CID 82123258
1-(2,5-difluorophenyl)-2-thiomorpholin-4-ylethanone
CID 62053520
1-(2,5-difluorophenyl)-2-morpholin-4-ylethanone
CID 43219461
2-(4-aminopiperidin-1-yl)-1-(2,5-difluorophenyl)ethanone
CID 62029769
1-(2,5-difluorophenyl)-2-(4-methylpiperidin-1-yl)ethanone
CID 43219785
4-[2-(2,5-difluorophenyl)-2-oxoethyl]-1-methyl-1,4-diazepan-2-one
CID 102889579
2-(1,3-dihydroisoindol-2-ylmethyl)-5-fluorobenzoic acid
CID 63289404
2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-1-(2,5-difluorophenyl)ethanone
CID 43228979
1-(2,5-difluorophenyl)-2-(2-methylmorpholin-4-yl)ethanone
CID 43794572
2-(1,3-dihydroisoindol-2-yl)-1-(2,5-dimethylphenyl)ethanone
CID 62206452
1-(2,5-difluorophenyl)-2-indazol-1-ylethanone
CID 62139619
2-[2-(2,5-difluorophenyl)-2-oxoethyl]-1H-pyridazine-3,6-dione
CID 62019372

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-2-(1,3-dihydroisoindol-2-yl)ethanone?
The IUPAC name of 1-(2,5-difluorophenyl)-2-(1,3-dihydroisoindol-2-yl)ethanone (CID 62206765) is 1-(2,5-difluorophenyl)-2-(1,3-dihydroisoindol-2-yl)ethanone.
What is the SMILES notation for 1-(2,5-difluorophenyl)-2-(1,3-dihydroisoindol-2-yl)ethanone?
The canonical SMILES for 1-(2,5-difluorophenyl)-2-(1,3-dihydroisoindol-2-yl)ethanone is O=C(CN1Cc2ccccc2C1)c1cc(F)ccc1F.
What is the InChIKey of 1-(2,5-difluorophenyl)-2-(1,3-dihydroisoindol-2-yl)ethanone?
The InChIKey is JKYZRCQBNDKBSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2NO/c17-13-5-6-15(18)14(7-13)16(20)10-19-8-11-3-1-2-4-12(11)9-19/h1-7H,8-10H2.
What are the key properties of 1-(2,5-difluorophenyl)-2-(1,3-dihydroisoindol-2-yl)ethanone?
1-(2,5-difluorophenyl)-2-(1,3-dihydroisoindol-2-yl)ethanone has a molecular weight of 273.28 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-2-(1,3-dihydroisoindol-2-yl)ethanone is sourced from PubChem (CID 62206765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).