2-(3,4-dichlorophenyl)-1,3-dioxo-N-prop-2-enylisoindole-5-carboxamide

C18H12Cl2N2O3 — CID 9399486

IUPAC2-(3,4-dichlorophenyl)-1,3-dioxo-N-prop-2-enylisoindole-5-carboxamide
SMILESC=CCNC(=O)c1ccc2c(c1)C(=O)N(c1ccc(Cl)c(Cl)c1)C2=O
InChIInChI=1S/C18H12Cl2N2O3/c1-2-7-21-16(23)10-3-5-12-13(8-10)18(25)22(17(12)24)11-4-6-14(19)15(20)9-11/h2-6,8-9H,1,7H2,(H,21,23)
InChIKeyYPBXFYIXZQUTGA-UHFFFAOYSA-N
MW375.21 g/mol
LogP3.71
Rot. Bonds4

About 2-(3,4-dichlorophenyl)-1,3-dioxo-N-prop-2-enylisoindole-5-carboxamide

2-(3,4-dichlorophenyl)-1,3-dioxo-N-prop-2-enylisoindole-5-carboxamide (PubChem CID 9399486) has the molecular formula C18H12Cl2N2O3 and a molecular weight of 375.21 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-1,3-dioxo-N-prop-2-enylisoindole-5-carboxamide.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-1,3-dioxo-N-prop-2-enylisoindole-5-carboxamide
PubChem CID9399486
Molecular FormulaC18H12Cl2N2O3
Molecular Weight375.21 g/mol
Exact Mass374.02
IUPAC Name2-(3,4-dichlorophenyl)-1,3-dioxo-N-prop-2-enylisoindole-5-carboxamide
SMILESC=CCNC(=O)c1ccc2c(c1)C(=O)N(c1ccc(Cl)c(Cl)c1)C2=O
InChIInChI=1S/C18H12Cl2N2O3/c1-2-7-21-16(23)10-3-5-12-13(8-10)18(25)22(17(12)24)11-4-6-14(19)15(20)9-11/h2-6,8-9H,1,7H2,(H,21,23)
InChIKeyYPBXFYIXZQUTGA-UHFFFAOYSA-N
XLogP3.71
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.21
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(3,4-dichlorophenyl)-1,3-dioxo-N-prop-2-enylisoindole-5-carboxamide 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

2-methyl-1,3-dioxo-N-prop-2-enylisoindole-5-carboxamide
CID 46679809
4-(1,3-dioxoisoindol-2-yl)-N-prop-2-enylbenzamide
CID 2254820
3-(1,3-dioxoisoindol-2-yl)-N-prop-2-enylbenzamide
CID 19177512
4-chloro-3-fluoro-N-prop-2-enylbenzamide
CID 103875478
9,10-dioxo-N-prop-2-enylanthracene-2-carboxamide
CID 122602735
N-(3,4-dichlorophenyl)-1,3-dioxo-2-phenylisoindole-5-carboxamide
CID 1350530
N-prop-2-enyl-4-[4-(prop-2-enylcarbamoyl)phenyl]benzamide
CID 3714314
2-(4-hydroxyphenyl)-N-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide
CID 17359183
3,4-dichloro-N-[2-(5-chloro-1,3-dioxoisoindol-2-yl)ethyl]benzamide
CID 113082254
[1-oxo-1-(prop-2-enylamino)propan-2-yl] 2-(2-chlorophenyl)-1,3-dioxoisoindole-5-carboxylate
CID 55420956
N,2-bis(4-methylphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 1079613
N-benzyl-2-(4-methylphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 19132955

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-1,3-dioxo-N-prop-2-enylisoindole-5-carboxamide?
The IUPAC name of 2-(3,4-dichlorophenyl)-1,3-dioxo-N-prop-2-enylisoindole-5-carboxamide (CID 9399486) is 2-(3,4-dichlorophenyl)-1,3-dioxo-N-prop-2-enylisoindole-5-carboxamide.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-1,3-dioxo-N-prop-2-enylisoindole-5-carboxamide?
The canonical SMILES for 2-(3,4-dichlorophenyl)-1,3-dioxo-N-prop-2-enylisoindole-5-carboxamide is C=CCNC(=O)c1ccc2c(c1)C(=O)N(c1ccc(Cl)c(Cl)c1)C2=O.
What is the InChIKey of 2-(3,4-dichlorophenyl)-1,3-dioxo-N-prop-2-enylisoindole-5-carboxamide?
The InChIKey is YPBXFYIXZQUTGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Cl2N2O3/c1-2-7-21-16(23)10-3-5-12-13(8-10)18(25)22(17(12)24)11-4-6-14(19)15(20)9-11/h2-6,8-9H,1,7H2,(H,21,23).
What are the key properties of 2-(3,4-dichlorophenyl)-1,3-dioxo-N-prop-2-enylisoindole-5-carboxamide?
2-(3,4-dichlorophenyl)-1,3-dioxo-N-prop-2-enylisoindole-5-carboxamide has a molecular weight of 375.21 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-1,3-dioxo-N-prop-2-enylisoindole-5-carboxamide is sourced from PubChem (CID 9399486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).