8-chloro-7-iodo-3,4-dihydro-1H-1-benzazepine-2,5-dione

C10H7ClINO2 — CID 58476599

IUPAC8-chloro-7-iodo-3,4-dihydro-1H-1-benzazepine-2,5-dione
SMILESO=C1CCC(=O)c2cc(I)c(Cl)cc2N1
InChIInChI=1S/C10H7ClINO2/c11-6-4-8-5(3-7(6)12)9(14)1-2-10(15)13-8/h3-4H,1-2H2,(H,13,15)
InChIKeyIONNIIWTRIKNCT-UHFFFAOYSA-N
MW335.53 g/mol
LogP2.86
Rot. Bonds

About 8-chloro-7-iodo-3,4-dihydro-1H-1-benzazepine-2,5-dione

8-chloro-7-iodo-3,4-dihydro-1H-1-benzazepine-2,5-dione (PubChem CID 58476599) has the molecular formula C10H7ClINO2 and a molecular weight of 335.53 g/mol. Its IUPAC name is 8-chloro-7-iodo-3,4-dihydro-1H-1-benzazepine-2,5-dione.

Molecular Properties

Compound Name8-chloro-7-iodo-3,4-dihydro-1H-1-benzazepine-2,5-dione
PubChem CID58476599
Molecular FormulaC10H7ClINO2
Molecular Weight335.53 g/mol
Exact Mass334.92
IUPAC Name8-chloro-7-iodo-3,4-dihydro-1H-1-benzazepine-2,5-dione
SMILESO=C1CCC(=O)c2cc(I)c(Cl)cc2N1
InChIInChI=1S/C10H7ClINO2/c11-6-4-8-5(3-7(6)12)9(14)1-2-10(15)13-8/h3-4H,1-2H2,(H,13,15)
InChIKeyIONNIIWTRIKNCT-UHFFFAOYSA-N
XLogP2.86
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.53
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-7-iodo-3,4-dihydro-1H-1-benzazepine-2,5-dione?
The IUPAC name of 8-chloro-7-iodo-3,4-dihydro-1H-1-benzazepine-2,5-dione (CID 58476599) is 8-chloro-7-iodo-3,4-dihydro-1H-1-benzazepine-2,5-dione.
What is the SMILES notation for 8-chloro-7-iodo-3,4-dihydro-1H-1-benzazepine-2,5-dione?
The canonical SMILES for 8-chloro-7-iodo-3,4-dihydro-1H-1-benzazepine-2,5-dione is O=C1CCC(=O)c2cc(I)c(Cl)cc2N1.
What is the InChIKey of 8-chloro-7-iodo-3,4-dihydro-1H-1-benzazepine-2,5-dione?
The InChIKey is IONNIIWTRIKNCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClINO2/c11-6-4-8-5(3-7(6)12)9(14)1-2-10(15)13-8/h3-4H,1-2H2,(H,13,15).
What are the key properties of 8-chloro-7-iodo-3,4-dihydro-1H-1-benzazepine-2,5-dione?
8-chloro-7-iodo-3,4-dihydro-1H-1-benzazepine-2,5-dione has a molecular weight of 335.53 g/mol, XLogP of 2.86, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-7-iodo-3,4-dihydro-1H-1-benzazepine-2,5-dione is sourced from PubChem (CID 58476599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).