2-[(3-chloro-2-methylphenyl)methyl]isoindole-1,3-dione

C16H12ClNO2 — CID 59323393

IUPAC2-[(3-chloro-2-methylphenyl)methyl]isoindole-1,3-dione
SMILESCc1c(Cl)cccc1CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C16H12ClNO2/c1-10-11(5-4-8-14(10)17)9-18-15(19)12-6-2-3-7-13(12)16(18)20/h2-8H,9H2,1H3
InChIKeyWSDYWTLQDFKKPC-UHFFFAOYSA-N
MW285.73 g/mol
LogP3.44
Rot. Bonds2

About 2-[(3-chloro-2-methylphenyl)methyl]isoindole-1,3-dione

2-[(3-chloro-2-methylphenyl)methyl]isoindole-1,3-dione (PubChem CID 59323393) has the molecular formula C16H12ClNO2 and a molecular weight of 285.73 g/mol. Its IUPAC name is 2-[(3-chloro-2-methylphenyl)methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(3-chloro-2-methylphenyl)methyl]isoindole-1,3-dione
PubChem CID59323393
Molecular FormulaC16H12ClNO2
Molecular Weight285.73 g/mol
Exact Mass285.06
IUPAC Name2-[(3-chloro-2-methylphenyl)methyl]isoindole-1,3-dione
SMILESCc1c(Cl)cccc1CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C16H12ClNO2/c1-10-11(5-4-8-14(10)17)9-18-15(19)12-6-2-3-7-13(12)16(18)20/h2-8H,9H2,1H3
InChIKeyWSDYWTLQDFKKPC-UHFFFAOYSA-N
XLogP3.44
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-[[5-[(1,3-dioxoisoindol-2-yl)methyl]-2,4-dimethylphenyl]methyl]isoindole-1,3-dione
CID 5094148
1-[(2-chlorophenyl)methyl]-3-methylpyrrole-2,5-dione
CID 43236228
2-[(2-ethynylphenyl)methyl]isoindole-1,3-dione
CID 90051753
2-[(2-chloro-4-fluorophenyl)methyl]isoindole-1,3-dione
CID 2773635
2-[(2-chloro-3-nitrophenyl)methyl]isoindole-1,3-dione
CID 126738131
2-[(5-chloro-2-methyl-3-pyridinyl)methyl]isoindole-1,3-dione
CID 66960207
3-chloro-2-[(1,3-dioxoisoindol-2-yl)methyl]benzaldehyde
CID 172859196
6-amino-3-[(1,3-dioxoisoindol-2-yl)methyl]-2-methylbenzoic acid
CID 23444673
2-[2-(2,6-dichlorophenyl)ethyl]isoindole-1,3-dione
CID 126721012
2-[(2-fluoro-3-methoxyphenyl)methyl]isoindole-1,3-dione
CID 59479327
2-[(3-amino-2-fluorophenyl)methyl]isoindole-1,3-dione
CID 107347604
1-(3-chloro-2-methylphenyl)-3-[3-(1,3-dioxoisoindol-2-yl)propyl]urea
CID 108889330

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-2-methylphenyl)methyl]isoindole-1,3-dione?
The IUPAC name of 2-[(3-chloro-2-methylphenyl)methyl]isoindole-1,3-dione (CID 59323393) is 2-[(3-chloro-2-methylphenyl)methyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[(3-chloro-2-methylphenyl)methyl]isoindole-1,3-dione?
The canonical SMILES for 2-[(3-chloro-2-methylphenyl)methyl]isoindole-1,3-dione is Cc1c(Cl)cccc1CN1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-[(3-chloro-2-methylphenyl)methyl]isoindole-1,3-dione?
The InChIKey is WSDYWTLQDFKKPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClNO2/c1-10-11(5-4-8-14(10)17)9-18-15(19)12-6-2-3-7-13(12)16(18)20/h2-8H,9H2,1H3.
What are the key properties of 2-[(3-chloro-2-methylphenyl)methyl]isoindole-1,3-dione?
2-[(3-chloro-2-methylphenyl)methyl]isoindole-1,3-dione has a molecular weight of 285.73 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-2-methylphenyl)methyl]isoindole-1,3-dione is sourced from PubChem (CID 59323393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).