N-(4-acetamido-3-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide

C19H16ClN3O4 — CID 46696526

IUPACN-(4-acetamido-3-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide
SMILESCC(=O)Nc1ccc(NC(=O)C(C)N2C(=O)c3ccccc3C2=O)cc1Cl
InChIInChI=1S/C19H16ClN3O4/c1-10(23-18(26)13-5-3-4-6-14(13)19(23)27)17(25)22-12-7-8-16(15(20)9-12)21-11(2)24/h3-10H,1-2H3,(H,21,24)(H,22,25)
InChIKeyMFARQHBTMZKCGW-UHFFFAOYSA-N
MW385.81 g/mol
LogP2.92
Rot. Bonds4

About N-(4-acetamido-3-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide

N-(4-acetamido-3-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide (PubChem CID 46696526) has the molecular formula C19H16ClN3O4 and a molecular weight of 385.81 g/mol. Its IUPAC name is N-(4-acetamido-3-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide.

Molecular Properties

Compound NameN-(4-acetamido-3-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide
PubChem CID46696526
Molecular FormulaC19H16ClN3O4
Molecular Weight385.81 g/mol
Exact Mass385.08
IUPAC NameN-(4-acetamido-3-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide
SMILESCC(=O)Nc1ccc(NC(=O)C(C)N2C(=O)c3ccccc3C2=O)cc1Cl
InChIInChI=1S/C19H16ClN3O4/c1-10(23-18(26)13-5-3-4-6-14(13)19(23)27)17(25)22-12-7-8-16(15(20)9-12)21-11(2)24/h3-10H,1-2H3,(H,21,24)(H,22,25)
InChIKeyMFARQHBTMZKCGW-UHFFFAOYSA-N
XLogP2.92
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.81
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(4-acetamido-3-chlorophenyl)-2-(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

Related Compounds

N-(2-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 3109173
(2R)-2-(1,3-dioxoisoindol-2-yl)-N-(4-propan-2-ylphenyl)propanamide
CID 680388
(2R)-2-(1,3-dioxoisoindol-2-yl)-N-phenylpropanamide
CID 767136
(2R)-N-(4-acetylphenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 721438
N-(2,5-dichlorophenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 2916493
N-(3-acetamido-4-methylphenyl)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanamide
CID 55784633
(2S)-N-(3-bromophenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 7104334
[(2S)-1-(2-chloro-4-fluoroanilino)-1-oxopropan-2-yl] (2S)-2-(1,3-dioxoisoindol-2-yl)propanoate
CID 2597263
N-[4-chloro-3-(diethylsulfamoyl)phenyl]-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 55340898
N-(4-acetamido-3-chlorophenyl)-2-methylbutanamide
CID 18149192
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 3119946
(2R)-N-(3-chlorophenyl)-2-(1-methylidene-3-oxoisoindol-2-yl)propanamide
CID 31779050

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamido-3-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide?
The IUPAC name of N-(4-acetamido-3-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide (CID 46696526) is N-(4-acetamido-3-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide.
What is the SMILES notation for N-(4-acetamido-3-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide?
The canonical SMILES for N-(4-acetamido-3-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide is CC(=O)Nc1ccc(NC(=O)C(C)N2C(=O)c3ccccc3C2=O)cc1Cl.
What is the InChIKey of N-(4-acetamido-3-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide?
The InChIKey is MFARQHBTMZKCGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O4/c1-10(23-18(26)13-5-3-4-6-14(13)19(23)27)17(25)22-12-7-8-16(15(20)9-12)21-11(2)24/h3-10H,1-2H3,(H,21,24)(H,22,25).
What are the key properties of N-(4-acetamido-3-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide?
N-(4-acetamido-3-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide has a molecular weight of 385.81 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamido-3-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide is sourced from PubChem (CID 46696526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).