2-(5-chloro-2-methoxyphenyl)-2-(3-oxo-1H-isoindol-2-yl)acetic acid

C17H14ClNO4 — CID 146381555

IUPAC2-(5-chloro-2-methoxyphenyl)-2-(3-oxo-1H-isoindol-2-yl)acetic acid
SMILESCOc1ccc(Cl)cc1C(C(=O)O)N1Cc2ccccc2C1=O
InChIInChI=1S/C17H14ClNO4/c1-23-14-7-6-11(18)8-13(14)15(17(21)22)19-9-10-4-2-3-5-12(10)16(19)20/h2-8,15H,9H2,1H3,(H,21,22)
InChIKeyCJEUXPBCZJIWBL-UHFFFAOYSA-N
MW331.76 g/mol
LogP3.13
Rot. Bonds4

About 2-(5-chloro-2-methoxyphenyl)-2-(3-oxo-1H-isoindol-2-yl)acetic acid

2-(5-chloro-2-methoxyphenyl)-2-(3-oxo-1H-isoindol-2-yl)acetic acid (PubChem CID 146381555) has the molecular formula C17H14ClNO4 and a molecular weight of 331.76 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxyphenyl)-2-(3-oxo-1H-isoindol-2-yl)acetic acid.

Molecular Properties

Compound Name2-(5-chloro-2-methoxyphenyl)-2-(3-oxo-1H-isoindol-2-yl)acetic acid
PubChem CID146381555
Molecular FormulaC17H14ClNO4
Molecular Weight331.76 g/mol
Exact Mass331.06
IUPAC Name2-(5-chloro-2-methoxyphenyl)-2-(3-oxo-1H-isoindol-2-yl)acetic acid
SMILESCOc1ccc(Cl)cc1C(C(=O)O)N1Cc2ccccc2C1=O
InChIInChI=1S/C17H14ClNO4/c1-23-14-7-6-11(18)8-13(14)15(17(21)22)19-9-10-4-2-3-5-12(10)16(19)20/h2-8,15H,9H2,1H3,(H,21,22)
InChIKeyCJEUXPBCZJIWBL-UHFFFAOYSA-N
XLogP3.13
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.76
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(5-chloro-2-methoxyphenyl)-2-(3-oxo-1H-isoindol-2-yl)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-hydroxy-3-methoxycarbonyl-5-methylphenyl)-2-(3-oxo-1H-isoindol-2-yl)acetic acid
CID 162637769
2-[2-hydroxy-3-methoxy-6-(pyrrolidin-1-ylmethyl)phenyl]-2-(3-oxo-1H-isoindol-2-yl)acetic acid
CID 163316297
N-(5-chloro-2-methoxyphenyl)-3-(4-methoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanamide
CID 46277915
2-[(1S)-2-oxo-1-phenylpropyl]-3H-isoindol-1-one
CID 118594278
(2R)-N-(5-acetamido-2-methoxyphenyl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide
CID 97263101
2-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-1-phenylethyl]-3H-isoindol-1-one
CID 155486491
2-(5-chloro-2-methoxyphenyl)-2-phenylsulfanylacetic acid
CID 155933420
(2R)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanamide
CID 92688600
3-(3,4-dimethoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanamide;ethane
CID 144962077
(2R)-4-methyl-2-(3-oxo-1H-isoindol-2-yl)pentanoic acid
CID 7062090
(2R)-2-(3-oxo-1H-isoindol-2-yl)-3-phenyl-N-(3,4,5-trimethoxyphenyl)propanamide
CID 92688547
(2R)-2-(5-bromo-4-methyl-3-oxo-1H-isoindol-2-yl)-2-(5-fluoro-2-methoxyphenyl)acetic acid
CID 175748452

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methoxyphenyl)-2-(3-oxo-1H-isoindol-2-yl)acetic acid?
The IUPAC name of 2-(5-chloro-2-methoxyphenyl)-2-(3-oxo-1H-isoindol-2-yl)acetic acid (CID 146381555) is 2-(5-chloro-2-methoxyphenyl)-2-(3-oxo-1H-isoindol-2-yl)acetic acid.
What is the SMILES notation for 2-(5-chloro-2-methoxyphenyl)-2-(3-oxo-1H-isoindol-2-yl)acetic acid?
The canonical SMILES for 2-(5-chloro-2-methoxyphenyl)-2-(3-oxo-1H-isoindol-2-yl)acetic acid is COc1ccc(Cl)cc1C(C(=O)O)N1Cc2ccccc2C1=O.
What is the InChIKey of 2-(5-chloro-2-methoxyphenyl)-2-(3-oxo-1H-isoindol-2-yl)acetic acid?
The InChIKey is CJEUXPBCZJIWBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNO4/c1-23-14-7-6-11(18)8-13(14)15(17(21)22)19-9-10-4-2-3-5-12(10)16(19)20/h2-8,15H,9H2,1H3,(H,21,22).
What are the key properties of 2-(5-chloro-2-methoxyphenyl)-2-(3-oxo-1H-isoindol-2-yl)acetic acid?
2-(5-chloro-2-methoxyphenyl)-2-(3-oxo-1H-isoindol-2-yl)acetic acid has a molecular weight of 331.76 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methoxyphenyl)-2-(3-oxo-1H-isoindol-2-yl)acetic acid is sourced from PubChem (CID 146381555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).