4-chloro-N-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methylphenyl)-2-oxoethyl]benzamide

C24H17ClN2O4 — CID 1263325

IUPAC4-chloro-N-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methylphenyl)-2-oxoethyl]benzamide
SMILESCc1ccc(C(=O)CN(C(=O)c2ccc(Cl)cc2)N2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C24H17ClN2O4/c1-15-6-8-16(9-7-15)21(28)14-26(22(29)17-10-12-18(25)13-11-17)27-23(30)19-4-2-3-5-20(19)24(27)31/h2-13H,14H2,1H3
InChIKeyMMWXPIPVMUMVIU-UHFFFAOYSA-N
MW432.86 g/mol
LogP4.18
Rot. Bonds5

About 4-chloro-N-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methylphenyl)-2-oxoethyl]benzamide

4-chloro-N-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methylphenyl)-2-oxoethyl]benzamide (PubChem CID 1263325) has the molecular formula C24H17ClN2O4 and a molecular weight of 432.86 g/mol. Its IUPAC name is 4-chloro-N-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methylphenyl)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methylphenyl)-2-oxoethyl]benzamide
PubChem CID1263325
Molecular FormulaC24H17ClN2O4
Molecular Weight432.86 g/mol
Exact Mass432.09
IUPAC Name4-chloro-N-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methylphenyl)-2-oxoethyl]benzamide
SMILESCc1ccc(C(=O)CN(C(=O)c2ccc(Cl)cc2)N2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C24H17ClN2O4/c1-15-6-8-16(9-7-15)21(28)14-26(22(29)17-10-12-18(25)13-11-17)27-23(30)19-4-2-3-5-20(19)24(27)31/h2-13H,14H2,1H3
InChIKeyMMWXPIPVMUMVIU-UHFFFAOYSA-N
XLogP4.18
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.86
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methylphenyl)-2-oxoethyl]benzamide?
The IUPAC name of 4-chloro-N-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methylphenyl)-2-oxoethyl]benzamide (CID 1263325) is 4-chloro-N-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methylphenyl)-2-oxoethyl]benzamide.
What is the SMILES notation for 4-chloro-N-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methylphenyl)-2-oxoethyl]benzamide?
The canonical SMILES for 4-chloro-N-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methylphenyl)-2-oxoethyl]benzamide is Cc1ccc(C(=O)CN(C(=O)c2ccc(Cl)cc2)N2C(=O)c3ccccc3C2=O)cc1.
What is the InChIKey of 4-chloro-N-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methylphenyl)-2-oxoethyl]benzamide?
The InChIKey is MMWXPIPVMUMVIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClN2O4/c1-15-6-8-16(9-7-15)21(28)14-26(22(29)17-10-12-18(25)13-11-17)27-23(30)19-4-2-3-5-20(19)24(27)31/h2-13H,14H2,1H3.
What are the key properties of 4-chloro-N-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methylphenyl)-2-oxoethyl]benzamide?
4-chloro-N-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methylphenyl)-2-oxoethyl]benzamide has a molecular weight of 432.86 g/mol, XLogP of 4.18, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methylphenyl)-2-oxoethyl]benzamide is sourced from PubChem (CID 1263325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).