N-(5-chloro-1,3-dioxobenzo[e]isoindol-4-yl)butanamide

C16H13ClN2O3 — CID 21401312

IUPACN-(5-chloro-1,3-dioxobenzo[e]isoindol-4-yl)butanamide
SMILESCCCC(=O)Nc1c2c(c3ccccc3c1Cl)C(=O)NC2=O
InChIInChI=1S/C16H13ClN2O3/c1-2-5-10(20)18-14-12-11(15(21)19-16(12)22)8-6-3-4-7-9(8)13(14)17/h3-4,6-7H,2,5H2,1H3,(H,18,20)(H,19,21,22)
InChIKeyPVWAKJYHESUMHL-UHFFFAOYSA-N
MW316.74 g/mol
LogP3.12
Rot. Bonds3

About N-(5-chloro-1,3-dioxobenzo[e]isoindol-4-yl)butanamide

N-(5-chloro-1,3-dioxobenzo[e]isoindol-4-yl)butanamide (PubChem CID 21401312) has the molecular formula C16H13ClN2O3 and a molecular weight of 316.74 g/mol. Its IUPAC name is N-(5-chloro-1,3-dioxobenzo[e]isoindol-4-yl)butanamide.

Molecular Properties

Compound NameN-(5-chloro-1,3-dioxobenzo[e]isoindol-4-yl)butanamide
PubChem CID21401312
Molecular FormulaC16H13ClN2O3
Molecular Weight316.74 g/mol
Exact Mass316.06
IUPAC NameN-(5-chloro-1,3-dioxobenzo[e]isoindol-4-yl)butanamide
SMILESCCCC(=O)Nc1c2c(c3ccccc3c1Cl)C(=O)NC2=O
InChIInChI=1S/C16H13ClN2O3/c1-2-5-10(20)18-14-12-11(15(21)19-16(12)22)8-6-3-4-7-9(8)13(14)17/h3-4,6-7H,2,5H2,1H3,(H,18,20)(H,19,21,22)
InChIKeyPVWAKJYHESUMHL-UHFFFAOYSA-N
XLogP3.12
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.74
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(5-chloro-1,3-dioxobenzo[e]isoindol-4-yl)butanamide 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-chloro-4,6-dimethylphenyl)-3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanamide
CID 1189086
N-(2-Chloro-9,10-dioxo-9,10-dihydroanthracen-1-yl)acetamide
CID 71372099
6,8-Dichlorobenzo[cd]indol-2(1h)-one
CID 723285
9-Chloro-1H-benz[f]indole-2,3-dione
CID 25082926
N-(2-chloro-4,6-dimethylphenyl)-4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanamide
CID 1189092
N-[4-(5-chloro-1,3-dioxo-isoindolin-2-yl)-3-methyl-phenyl]-2-(2-naphthyl)acetamide
CID 129905813
Benz[c,d]indol-2(1H)-one, 5-acetylamino-3,6-dichloro-
CID 540764
5-(4-chlorophenyl)-6,7,8,9-tetrahydro-1H-benzo[g]indole-2,3-dione
CID 9879770
5-chloro-1H-benzo[cd]indol-2-one
CID 12386676
N-chloro-N-(5,6-dichloro-1,3-dioxobenzo[e]isoindol-4-yl)acetamide
CID 19855687
N-chloro-N-(1,3-dioxobenzo[e]isoindol-4-yl)acetamide
CID 19855693
5,6-Dichloro-4-(propan-2-ylamino)benzo[e]isoindole-1,3-dione
CID 21332775

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-1,3-dioxobenzo[e]isoindol-4-yl)butanamide?
The IUPAC name of N-(5-chloro-1,3-dioxobenzo[e]isoindol-4-yl)butanamide (CID 21401312) is N-(5-chloro-1,3-dioxobenzo[e]isoindol-4-yl)butanamide.
What is the SMILES notation for N-(5-chloro-1,3-dioxobenzo[e]isoindol-4-yl)butanamide?
The canonical SMILES for N-(5-chloro-1,3-dioxobenzo[e]isoindol-4-yl)butanamide is CCCC(=O)Nc1c2c(c3ccccc3c1Cl)C(=O)NC2=O.
What is the InChIKey of N-(5-chloro-1,3-dioxobenzo[e]isoindol-4-yl)butanamide?
The InChIKey is PVWAKJYHESUMHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O3/c1-2-5-10(20)18-14-12-11(15(21)19-16(12)22)8-6-3-4-7-9(8)13(14)17/h3-4,6-7H,2,5H2,1H3,(H,18,20)(H,19,21,22).
What are the key properties of N-(5-chloro-1,3-dioxobenzo[e]isoindol-4-yl)butanamide?
N-(5-chloro-1,3-dioxobenzo[e]isoindol-4-yl)butanamide has a molecular weight of 316.74 g/mol, XLogP of 3.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-1,3-dioxobenzo[e]isoindol-4-yl)butanamide is sourced from PubChem (CID 21401312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).