2-[2-(4-chlorobenzoyl)-4-methoxyphenyl]isoindole-1,3-dione

C22H14ClNO4 — CID 168519707

IUPAC2-[2-(4-chlorobenzoyl)-4-methoxyphenyl]isoindole-1,3-dione
SMILESCOc1ccc(N2C(=O)c3ccccc3C2=O)c(C(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C22H14ClNO4/c1-28-15-10-11-19(18(12-15)20(25)13-6-8-14(23)9-7-13)24-21(26)16-4-2-3-5-17(16)22(24)27/h2-12H,1H3
InChIKeyLKDLEIMRRSJQRR-UHFFFAOYSA-N
MW391.81 g/mol
LogP4.38
Rot. Bonds4

About 2-[2-(4-chlorobenzoyl)-4-methoxyphenyl]isoindole-1,3-dione

2-[2-(4-chlorobenzoyl)-4-methoxyphenyl]isoindole-1,3-dione (PubChem CID 168519707) has the molecular formula C22H14ClNO4 and a molecular weight of 391.81 g/mol. Its IUPAC name is 2-[2-(4-chlorobenzoyl)-4-methoxyphenyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-(4-chlorobenzoyl)-4-methoxyphenyl]isoindole-1,3-dione
PubChem CID168519707
Molecular FormulaC22H14ClNO4
Molecular Weight391.81 g/mol
Exact Mass391.06
IUPAC Name2-[2-(4-chlorobenzoyl)-4-methoxyphenyl]isoindole-1,3-dione
SMILESCOc1ccc(N2C(=O)c3ccccc3C2=O)c(C(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C22H14ClNO4/c1-28-15-10-11-19(18(12-15)20(25)13-6-8-14(23)9-7-13)24-21(26)16-4-2-3-5-17(16)22(24)27/h2-12H,1H3
InChIKeyLKDLEIMRRSJQRR-UHFFFAOYSA-N
XLogP4.38
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.81
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-benzoyl-4-chlorophenyl)-5-[2-(2-benzoyl-4-chlorophenyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione
CID 3110126
[5-methoxy-2-(triazol-2-yl)phenyl]-phenylmethanone
CID 132521712
(4-chlorophenyl)-(2-fluoro-4-methoxyphenyl)methanone
CID 22475222
(2-fluoro-5-methoxyphenyl)-(4-methoxyphenyl)methanone
CID 102282476
N-[2-(1,3-dioxoisoindol-2-yl)-4-methoxyphenyl]acetamide
CID 10335547
[2-(4-chlorophenyl)-2-oxoethyl] 5-chloro-4-(1,3-dioxoisoindol-2-yl)-2-methoxybenzoate
CID 126184398
2-(1,3-dioxoisoindol-2-yl)-4-(4-methoxyphenyl)benzoic acid
CID 168518194
N-[2-(1,3-dioxoisoindol-2-yl)-5-methoxyphenyl]-2-methylpropanamide
CID 168516679
2-(4-methoxy-2-nitrophenyl)isoindole-1,3-dione
CID 619974
2-[5-methoxy-2-[(E)-N-methoxy-C-methylcarbonimidoyl]phenyl]isoindole-1,3-dione
CID 177450628
5-methoxy-2-(4-phenylbenzoyl)benzoic acid
CID 69209013
2-[4-bromo-2-(2-chlorobenzoyl)phenyl]isoindole-1,3-dione
CID 168516269

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorobenzoyl)-4-methoxyphenyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-(4-chlorobenzoyl)-4-methoxyphenyl]isoindole-1,3-dione (CID 168519707) is 2-[2-(4-chlorobenzoyl)-4-methoxyphenyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-(4-chlorobenzoyl)-4-methoxyphenyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-(4-chlorobenzoyl)-4-methoxyphenyl]isoindole-1,3-dione is COc1ccc(N2C(=O)c3ccccc3C2=O)c(C(=O)c2ccc(Cl)cc2)c1.
What is the InChIKey of 2-[2-(4-chlorobenzoyl)-4-methoxyphenyl]isoindole-1,3-dione?
The InChIKey is LKDLEIMRRSJQRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14ClNO4/c1-28-15-10-11-19(18(12-15)20(25)13-6-8-14(23)9-7-13)24-21(26)16-4-2-3-5-17(16)22(24)27/h2-12H,1H3.
What are the key properties of 2-[2-(4-chlorobenzoyl)-4-methoxyphenyl]isoindole-1,3-dione?
2-[2-(4-chlorobenzoyl)-4-methoxyphenyl]isoindole-1,3-dione has a molecular weight of 391.81 g/mol, XLogP of 4.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorobenzoyl)-4-methoxyphenyl]isoindole-1,3-dione is sourced from PubChem (CID 168519707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).