N-[(3-chlorophenyl)methyl]-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-methylbenzamide

C25H21ClN2O4 — CID 26893001

IUPACN-[(3-chlorophenyl)methyl]-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-methylbenzamide
SMILESCOc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)N(C)Cc1cccc(Cl)c1
InChIInChI=1S/C25H21ClN2O4/c1-27(14-16-6-5-7-18(26)12-16)23(29)21-13-17(10-11-22(21)32-2)15-28-24(30)19-8-3-4-9-20(19)25(28)31/h3-13H,14-15H2,1-2H3
InChIKeySJIFIBJCFPWPIL-UHFFFAOYSA-N
MW448.91 g/mol
LogP4.42
Rot. Bonds6

About N-[(3-chlorophenyl)methyl]-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-methylbenzamide

N-[(3-chlorophenyl)methyl]-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-methylbenzamide (PubChem CID 26893001) has the molecular formula C25H21ClN2O4 and a molecular weight of 448.91 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-methylbenzamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-methylbenzamide
PubChem CID26893001
Molecular FormulaC25H21ClN2O4
Molecular Weight448.91 g/mol
Exact Mass448.12
IUPAC NameN-[(3-chlorophenyl)methyl]-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-methylbenzamide
SMILESCOc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)N(C)Cc1cccc(Cl)c1
InChIInChI=1S/C25H21ClN2O4/c1-27(14-16-6-5-7-18(26)12-16)23(29)21-13-17(10-11-22(21)32-2)15-28-24(30)19-8-3-4-9-20(19)25(28)31/h3-13H,14-15H2,1-2H3
InChIKeySJIFIBJCFPWPIL-UHFFFAOYSA-N
XLogP4.42
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.91
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(3-chlorophenyl)methyl]-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-methylbenzamide 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

5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxy-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
CID 29217634
N-[(5-chloro-2-methoxyphenyl)methyl]-3-[(1,3-dioxoisoindol-2-yl)methyl]-N-methylbenzamide
CID 55415973
N-[(3-chlorophenyl)methyl]-2,5-dimethoxy-N-methylbenzamide
CID 18112540
N-cyclopentyl-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-methylbenzamide
CID 51268360
N-[(3-chlorophenyl)methyl]-2-methoxy-N-methyl-5-sulfamoylbenzamide
CID 18112583
N-benzyl-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzamide
CID 7945607
N-cyclopropyl-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-[(4-methoxyphenyl)methyl]benzamide
CID 55388015
5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 7916782
2-methoxyethyl 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzoate
CID 46541751
5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 31150788
N-[(3-chlorophenyl)methyl]-3-hydroxy-4-methoxy-N-methylbenzamide
CID 79593528
N-[(3-chlorophenyl)methyl]-N-methyl-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
CID 18135929

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-methylbenzamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-methylbenzamide (CID 26893001) is N-[(3-chlorophenyl)methyl]-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-methylbenzamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-methylbenzamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-methylbenzamide is COc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)N(C)Cc1cccc(Cl)c1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-methylbenzamide?
The InChIKey is SJIFIBJCFPWPIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClN2O4/c1-27(14-16-6-5-7-18(26)12-16)23(29)21-13-17(10-11-22(21)32-2)15-28-24(30)19-8-3-4-9-20(19)25(28)31/h3-13H,14-15H2,1-2H3.
What are the key properties of N-[(3-chlorophenyl)methyl]-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-methylbenzamide?
N-[(3-chlorophenyl)methyl]-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-methylbenzamide has a molecular weight of 448.91 g/mol, XLogP of 4.42, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-methylbenzamide is sourced from PubChem (CID 26893001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).