2-[[7-(4-amino-3,5-dichlorophenyl)-3-oxo-1H-isoindol-2-yl]methyl]prop-2-enamide

C18H15Cl2N3O2 — CID 162528635

IUPAC2-[[7-(4-amino-3,5-dichlorophenyl)-3-oxo-1H-isoindol-2-yl]methyl]prop-2-enamide
SMILESC=C(CN1Cc2c(cccc2-c2cc(Cl)c(N)c(Cl)c2)C1=O)C(N)=O
InChIInChI=1S/C18H15Cl2N3O2/c1-9(17(22)24)7-23-8-13-11(3-2-4-12(13)18(23)25)10-5-14(19)16(21)15(20)6-10/h2-6H,1,7-8,21H2,(H2,22,24)
InChIKeyQNZFIGKYMWNEBF-UHFFFAOYSA-N
MW376.24 g/mol
LogP3.24
Rot. Bonds4

About 2-[[7-(4-amino-3,5-dichlorophenyl)-3-oxo-1H-isoindol-2-yl]methyl]prop-2-enamide

2-[[7-(4-amino-3,5-dichlorophenyl)-3-oxo-1H-isoindol-2-yl]methyl]prop-2-enamide (PubChem CID 162528635) has the molecular formula C18H15Cl2N3O2 and a molecular weight of 376.24 g/mol. Its IUPAC name is 2-[[7-(4-amino-3,5-dichlorophenyl)-3-oxo-1H-isoindol-2-yl]methyl]prop-2-enamide.

Molecular Properties

Compound Name2-[[7-(4-amino-3,5-dichlorophenyl)-3-oxo-1H-isoindol-2-yl]methyl]prop-2-enamide
PubChem CID162528635
Molecular FormulaC18H15Cl2N3O2
Molecular Weight376.24 g/mol
Exact Mass375.05
IUPAC Name2-[[7-(4-amino-3,5-dichlorophenyl)-3-oxo-1H-isoindol-2-yl]methyl]prop-2-enamide
SMILESC=C(CN1Cc2c(cccc2-c2cc(Cl)c(N)c(Cl)c2)C1=O)C(N)=O
InChIInChI=1S/C18H15Cl2N3O2/c1-9(17(22)24)7-23-8-13-11(3-2-4-12(13)18(23)25)10-5-14(19)16(21)15(20)6-10/h2-6H,1,7-8,21H2,(H2,22,24)
InChIKeyQNZFIGKYMWNEBF-UHFFFAOYSA-N
XLogP3.24
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.24
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-[[7-(4-amino-3,5-dichlorophenyl)-3-oxo-1H-isoindol-2-yl]methyl]prop-2-enamide 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 2-[[7-(4-amino-3,5-dichlorophenyl)-3-oxo-1H-isoindol-2-yl]methyl]prop-2-enamide?
The IUPAC name of 2-[[7-(4-amino-3,5-dichlorophenyl)-3-oxo-1H-isoindol-2-yl]methyl]prop-2-enamide (CID 162528635) is 2-[[7-(4-amino-3,5-dichlorophenyl)-3-oxo-1H-isoindol-2-yl]methyl]prop-2-enamide.
What is the SMILES notation for 2-[[7-(4-amino-3,5-dichlorophenyl)-3-oxo-1H-isoindol-2-yl]methyl]prop-2-enamide?
The canonical SMILES for 2-[[7-(4-amino-3,5-dichlorophenyl)-3-oxo-1H-isoindol-2-yl]methyl]prop-2-enamide is C=C(CN1Cc2c(cccc2-c2cc(Cl)c(N)c(Cl)c2)C1=O)C(N)=O.
What is the InChIKey of 2-[[7-(4-amino-3,5-dichlorophenyl)-3-oxo-1H-isoindol-2-yl]methyl]prop-2-enamide?
The InChIKey is QNZFIGKYMWNEBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2N3O2/c1-9(17(22)24)7-23-8-13-11(3-2-4-12(13)18(23)25)10-5-14(19)16(21)15(20)6-10/h2-6H,1,7-8,21H2,(H2,22,24).
What are the key properties of 2-[[7-(4-amino-3,5-dichlorophenyl)-3-oxo-1H-isoindol-2-yl]methyl]prop-2-enamide?
2-[[7-(4-amino-3,5-dichlorophenyl)-3-oxo-1H-isoindol-2-yl]methyl]prop-2-enamide has a molecular weight of 376.24 g/mol, XLogP of 3.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[7-(4-amino-3,5-dichlorophenyl)-3-oxo-1H-isoindol-2-yl]methyl]prop-2-enamide is sourced from PubChem (CID 162528635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).