9-chloro-3,4-dihydro-1H-[1]benzofuro[3,2-b]azepine-2,5-dione

C12H8ClNO3 — CID 714200

IUPAC9-chloro-3,4-dihydro-1H-[1]benzofuro[3,2-b]azepine-2,5-dione
SMILESO=C1CCC(=O)c2oc3ccc(Cl)cc3c2N1
InChIInChI=1S/C12H8ClNO3/c13-6-1-3-9-7(5-6)11-12(17-9)8(15)2-4-10(16)14-11/h1,3,5H,2,4H2,(H,14,16)
InChIKeyUMKIBXQNCYVTSS-UHFFFAOYSA-N
MW249.65 g/mol
LogP3.00
Rot. Bonds

About 9-chloro-3,4-dihydro-1H-[1]benzofuro[3,2-b]azepine-2,5-dione

9-chloro-3,4-dihydro-1H-[1]benzofuro[3,2-b]azepine-2,5-dione (PubChem CID 714200) has the molecular formula C12H8ClNO3 and a molecular weight of 249.65 g/mol. Its IUPAC name is 9-chloro-3,4-dihydro-1H-[1]benzofuro[3,2-b]azepine-2,5-dione.

Molecular Properties

Compound Name9-chloro-3,4-dihydro-1H-[1]benzofuro[3,2-b]azepine-2,5-dione
PubChem CID714200
Molecular FormulaC12H8ClNO3
Molecular Weight249.65 g/mol
Exact Mass249.02
IUPAC Name9-chloro-3,4-dihydro-1H-[1]benzofuro[3,2-b]azepine-2,5-dione
SMILESO=C1CCC(=O)c2oc3ccc(Cl)cc3c2N1
InChIInChI=1S/C12H8ClNO3/c13-6-1-3-9-7(5-6)11-12(17-9)8(15)2-4-10(16)14-11/h1,3,5H,2,4H2,(H,14,16)
InChIKeyUMKIBXQNCYVTSS-UHFFFAOYSA-N
XLogP3.00
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.65
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 9-chloro-3,4-dihydro-1H-[1]benzofuro[3,2-b]azepine-2,5-dione 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

9-methoxy-3,4-dihydro-1H-[1]benzofuro[3,2-b]azepine-2,5-dione
CID 5298868
6-chloro-3,4-dihydro-1H-quinolin-2-one
CID 11240825
6-chloro-2-(4-chlorophenyl)chromen-4-one
CID 688871
2-chloro-8,9-dimethoxybenzo[c]chromen-6-one
CID 164686324
5-chloro-2-(4-fluorophenyl)-1-benzofuran-3-carboxylic acid
CID 142773378
2-(4-aminophenyl)-6-chlorochromen-4-one
CID 82046480
5-chloro-3-(4-chlorophenyl)-1-benzofuran-2-carbaldehyde
CID 12535911
6-chloro-2-(trifluoromethyl)chromen-4-one
CID 746049
4-(bromomethyl)-6-chlorochromen-2-one
CID 12936141
2-[5-chloro-2-(3-chlorophenyl)-1-benzofuran-3-yl]-4,5-dihydro-1H-imidazole
CID 10236778
8-chloro-12-hydroxy-2,2-dimethyl-3,4-dihydropyrano[3,2-b]xanthen-6-one
CID 71659231
6-chloro-2-methyl-4-oxochromene-3-carbothioic S-acid
CID 88751111

Frequently Asked Questions

What is the IUPAC name of 9-chloro-3,4-dihydro-1H-[1]benzofuro[3,2-b]azepine-2,5-dione?
The IUPAC name of 9-chloro-3,4-dihydro-1H-[1]benzofuro[3,2-b]azepine-2,5-dione (CID 714200) is 9-chloro-3,4-dihydro-1H-[1]benzofuro[3,2-b]azepine-2,5-dione.
What is the SMILES notation for 9-chloro-3,4-dihydro-1H-[1]benzofuro[3,2-b]azepine-2,5-dione?
The canonical SMILES for 9-chloro-3,4-dihydro-1H-[1]benzofuro[3,2-b]azepine-2,5-dione is O=C1CCC(=O)c2oc3ccc(Cl)cc3c2N1.
What is the InChIKey of 9-chloro-3,4-dihydro-1H-[1]benzofuro[3,2-b]azepine-2,5-dione?
The InChIKey is UMKIBXQNCYVTSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClNO3/c13-6-1-3-9-7(5-6)11-12(17-9)8(15)2-4-10(16)14-11/h1,3,5H,2,4H2,(H,14,16).
What are the key properties of 9-chloro-3,4-dihydro-1H-[1]benzofuro[3,2-b]azepine-2,5-dione?
9-chloro-3,4-dihydro-1H-[1]benzofuro[3,2-b]azepine-2,5-dione has a molecular weight of 249.65 g/mol, XLogP of 3.00, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-chloro-3,4-dihydro-1H-[1]benzofuro[3,2-b]azepine-2,5-dione is sourced from PubChem (CID 714200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).