(3R)-3-(2,3-dichlorophenyl)-3-(3-oxo-1H-isoindol-2-yl)propanoate

C17H12Cl2NO3- — CID 7062338

IUPAC(3R)-3-(2,3-dichlorophenyl)-3-(3-oxo-1H-isoindol-2-yl)propanoate
SMILESO=C([O-])C[C@H](c1cccc(Cl)c1Cl)N1Cc2ccccc2C1=O
InChIInChI=1S/C17H13Cl2NO3/c18-13-7-3-6-12(16(13)19)14(8-15(21)22)20-9-10-4-1-2-5-11(10)17(20)23/h1-7,14H,8-9H2,(H,21,22)/p-1/t14-/m1/s1
InChIKeyXKBSQSYLSYMRRD-CQSZACIVSA-M
MW349.19 g/mol
LogP2.83
Rot. Bonds4

About (3R)-3-(2,3-dichlorophenyl)-3-(3-oxo-1H-isoindol-2-yl)propanoate

(3R)-3-(2,3-dichlorophenyl)-3-(3-oxo-1H-isoindol-2-yl)propanoate (PubChem CID 7062338) has the molecular formula C17H12Cl2NO3- and a molecular weight of 349.19 g/mol. Its IUPAC name is (3R)-3-(2,3-dichlorophenyl)-3-(3-oxo-1H-isoindol-2-yl)propanoate.

Molecular Properties

Compound Name(3R)-3-(2,3-dichlorophenyl)-3-(3-oxo-1H-isoindol-2-yl)propanoate
PubChem CID7062338
Molecular FormulaC17H12Cl2NO3-
Molecular Weight349.19 g/mol
Exact Mass348.02
IUPAC Name(3R)-3-(2,3-dichlorophenyl)-3-(3-oxo-1H-isoindol-2-yl)propanoate
SMILESO=C([O-])C[C@H](c1cccc(Cl)c1Cl)N1Cc2ccccc2C1=O
InChIInChI=1S/C17H13Cl2NO3/c18-13-7-3-6-12(16(13)19)14(8-15(21)22)20-9-10-4-1-2-5-11(10)17(20)23/h1-7,14H,8-9H2,(H,21,22)/p-1/t14-/m1/s1
InChIKeyXKBSQSYLSYMRRD-CQSZACIVSA-M
XLogP2.83
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.19
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(2,3-dichlorophenyl)-3-(3-oxo-1H-isoindol-2-yl)propanoate?
The IUPAC name of (3R)-3-(2,3-dichlorophenyl)-3-(3-oxo-1H-isoindol-2-yl)propanoate (CID 7062338) is (3R)-3-(2,3-dichlorophenyl)-3-(3-oxo-1H-isoindol-2-yl)propanoate.
What is the SMILES notation for (3R)-3-(2,3-dichlorophenyl)-3-(3-oxo-1H-isoindol-2-yl)propanoate?
The canonical SMILES for (3R)-3-(2,3-dichlorophenyl)-3-(3-oxo-1H-isoindol-2-yl)propanoate is O=C([O-])C[C@H](c1cccc(Cl)c1Cl)N1Cc2ccccc2C1=O.
What is the InChIKey of (3R)-3-(2,3-dichlorophenyl)-3-(3-oxo-1H-isoindol-2-yl)propanoate?
The InChIKey is XKBSQSYLSYMRRD-CQSZACIVSA-M. The full InChI is InChI=1S/C17H13Cl2NO3/c18-13-7-3-6-12(16(13)19)14(8-15(21)22)20-9-10-4-1-2-5-11(10)17(20)23/h1-7,14H,8-9H2,(H,21,22)/p-1/t14-/m1/s1.
What are the key properties of (3R)-3-(2,3-dichlorophenyl)-3-(3-oxo-1H-isoindol-2-yl)propanoate?
(3R)-3-(2,3-dichlorophenyl)-3-(3-oxo-1H-isoindol-2-yl)propanoate has a molecular weight of 349.19 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(2,3-dichlorophenyl)-3-(3-oxo-1H-isoindol-2-yl)propanoate is sourced from PubChem (CID 7062338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).