N-[(3-chlorophenyl)methyl]-3-(1,3-dioxoisoindol-2-yl)propanamide

C18H15ClN2O3 — CID 2097228

IUPACN-[(3-chlorophenyl)methyl]-3-(1,3-dioxoisoindol-2-yl)propanamide
SMILESO=C(CCN1C(=O)c2ccccc2C1=O)NCc1cccc(Cl)c1
InChIInChI=1S/C18H15ClN2O3/c19-13-5-3-4-12(10-13)11-20-16(22)8-9-21-17(23)14-6-1-2-7-15(14)18(21)24/h1-7,10H,8-9,11H2,(H,20,22)
InChIKeyGNUPOBWPMVDOSI-UHFFFAOYSA-N
MW342.78 g/mol
LogP2.64
Rot. Bonds5

About N-[(3-chlorophenyl)methyl]-3-(1,3-dioxoisoindol-2-yl)propanamide

N-[(3-chlorophenyl)methyl]-3-(1,3-dioxoisoindol-2-yl)propanamide (PubChem CID 2097228) has the molecular formula C18H15ClN2O3 and a molecular weight of 342.78 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-3-(1,3-dioxoisoindol-2-yl)propanamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-3-(1,3-dioxoisoindol-2-yl)propanamide
PubChem CID2097228
Molecular FormulaC18H15ClN2O3
Molecular Weight342.78 g/mol
Exact Mass342.08
IUPAC NameN-[(3-chlorophenyl)methyl]-3-(1,3-dioxoisoindol-2-yl)propanamide
SMILESO=C(CCN1C(=O)c2ccccc2C1=O)NCc1cccc(Cl)c1
InChIInChI=1S/C18H15ClN2O3/c19-13-5-3-4-12(10-13)11-20-16(22)8-9-21-17(23)14-6-1-2-7-15(14)18(21)24/h1-7,10H,8-9,11H2,(H,20,22)
InChIKeyGNUPOBWPMVDOSI-UHFFFAOYSA-N
XLogP2.64
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.78
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(3-chlorophenyl)methyl]-3-(1,3-dioxoisoindol-2-yl)propanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-3-(1,3-dioxoisoindol-2-yl)propanamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-3-(1,3-dioxoisoindol-2-yl)propanamide (CID 2097228) is N-[(3-chlorophenyl)methyl]-3-(1,3-dioxoisoindol-2-yl)propanamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-3-(1,3-dioxoisoindol-2-yl)propanamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-3-(1,3-dioxoisoindol-2-yl)propanamide is O=C(CCN1C(=O)c2ccccc2C1=O)NCc1cccc(Cl)c1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-3-(1,3-dioxoisoindol-2-yl)propanamide?
The InChIKey is GNUPOBWPMVDOSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O3/c19-13-5-3-4-12(10-13)11-20-16(22)8-9-21-17(23)14-6-1-2-7-15(14)18(21)24/h1-7,10H,8-9,11H2,(H,20,22).
What are the key properties of N-[(3-chlorophenyl)methyl]-3-(1,3-dioxoisoindol-2-yl)propanamide?
N-[(3-chlorophenyl)methyl]-3-(1,3-dioxoisoindol-2-yl)propanamide has a molecular weight of 342.78 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-3-(1,3-dioxoisoindol-2-yl)propanamide is sourced from PubChem (CID 2097228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).