3-(1,1-difluoro-2-oxo-2-phenylethyl)-3-(3-methoxyphenyl)-2H-isoindol-1-one

C23H17F2NO3 — CID 162410838

IUPAC3-(1,1-difluoro-2-oxo-2-phenylethyl)-3-(3-methoxyphenyl)-2H-isoindol-1-one
SMILESCOc1cccc(C2(C(F)(F)C(=O)c3ccccc3)NC(=O)c3ccccc32)c1
InChIInChI=1S/C23H17F2NO3/c1-29-17-11-7-10-16(14-17)22(19-13-6-5-12-18(19)21(28)26-22)23(24,25)20(27)15-8-3-2-4-9-15/h2-14H,1H3,(H,26,28)
InChIKeyOUVWKBUNDIZIGC-UHFFFAOYSA-N
MW393.39 g/mol
LogP4.20
Rot. Bonds5

About 3-(1,1-difluoro-2-oxo-2-phenylethyl)-3-(3-methoxyphenyl)-2H-isoindol-1-one

3-(1,1-difluoro-2-oxo-2-phenylethyl)-3-(3-methoxyphenyl)-2H-isoindol-1-one (PubChem CID 162410838) has the molecular formula C23H17F2NO3 and a molecular weight of 393.39 g/mol. Its IUPAC name is 3-(1,1-difluoro-2-oxo-2-phenylethyl)-3-(3-methoxyphenyl)-2H-isoindol-1-one.

Molecular Properties

Compound Name3-(1,1-difluoro-2-oxo-2-phenylethyl)-3-(3-methoxyphenyl)-2H-isoindol-1-one
PubChem CID162410838
Molecular FormulaC23H17F2NO3
Molecular Weight393.39 g/mol
Exact Mass393.12
IUPAC Name3-(1,1-difluoro-2-oxo-2-phenylethyl)-3-(3-methoxyphenyl)-2H-isoindol-1-one
SMILESCOc1cccc(C2(C(F)(F)C(=O)c3ccccc3)NC(=O)c3ccccc32)c1
InChIInChI=1S/C23H17F2NO3/c1-29-17-11-7-10-16(14-17)22(19-13-6-5-12-18(19)21(28)26-22)23(24,25)20(27)15-8-3-2-4-9-15/h2-14H,1H3,(H,26,28)
InChIKeyOUVWKBUNDIZIGC-UHFFFAOYSA-N
XLogP4.20
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.39
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 10385185
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CID 10065805
Benzamide, 3-methoxy-2-methyl-N-[1-(3-methylbenzoyl)cyclopentyl]-
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N-[1-(3,5-Dimethylbenzoyl)cyclohexyl]-2-ethyl-3-methoxybenzamide
CID 44298557
N-[1-(3,5-Dimethylbenzoyl)cyclohexyl]-3-methoxy-2-methylbenzamide
CID 44299099
N-[1-(3,5-Dimethyl-benzoyl)-cyclopentyl]-3-methoxy-2-methyl-benzamide
CID 44299260
N-[1-(3,5-Dimethyl-benzoyl)-1-ethyl-propyl]-3-methoxy-2-methyl-benzamide
CID 44299261
N-[1-(4-fluoro-3-methylbenzoyl)cyclopentyl]-3-methoxy-2-methylbenzamide
CID 44362408
N-(1-Benzoylcyclopentyl)-3-methoxy-2-methylbenzamide
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3-Methoxy-2-methyl-N-[3-(3-methylbenzoyl)pentan-3-yl]benzamide
CID 44362559
N-[(3-Methoxyphenyl)methyl]-3-(4-methylphenyl)-3-(1-oxo-2,3-dihydro-1H-isoindol-2-YL)propanamide
CID 16022348
3-(4-Fluorophenyl)-N-[(2-methoxyphenyl)methyl]-3-(1-oxo-2,3-dihydro-1H-isoindol-2-YL)propanamide
CID 16022520

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-difluoro-2-oxo-2-phenylethyl)-3-(3-methoxyphenyl)-2H-isoindol-1-one?
The IUPAC name of 3-(1,1-difluoro-2-oxo-2-phenylethyl)-3-(3-methoxyphenyl)-2H-isoindol-1-one (CID 162410838) is 3-(1,1-difluoro-2-oxo-2-phenylethyl)-3-(3-methoxyphenyl)-2H-isoindol-1-one.
What is the SMILES notation for 3-(1,1-difluoro-2-oxo-2-phenylethyl)-3-(3-methoxyphenyl)-2H-isoindol-1-one?
The canonical SMILES for 3-(1,1-difluoro-2-oxo-2-phenylethyl)-3-(3-methoxyphenyl)-2H-isoindol-1-one is COc1cccc(C2(C(F)(F)C(=O)c3ccccc3)NC(=O)c3ccccc32)c1.
What is the InChIKey of 3-(1,1-difluoro-2-oxo-2-phenylethyl)-3-(3-methoxyphenyl)-2H-isoindol-1-one?
The InChIKey is OUVWKBUNDIZIGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F2NO3/c1-29-17-11-7-10-16(14-17)22(19-13-6-5-12-18(19)21(28)26-22)23(24,25)20(27)15-8-3-2-4-9-15/h2-14H,1H3,(H,26,28).
What are the key properties of 3-(1,1-difluoro-2-oxo-2-phenylethyl)-3-(3-methoxyphenyl)-2H-isoindol-1-one?
3-(1,1-difluoro-2-oxo-2-phenylethyl)-3-(3-methoxyphenyl)-2H-isoindol-1-one has a molecular weight of 393.39 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-difluoro-2-oxo-2-phenylethyl)-3-(3-methoxyphenyl)-2H-isoindol-1-one is sourced from PubChem (CID 162410838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).