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

C11H7ClINO3 — CID 18980002

IUPAC8-chloro-4-iodo-3-methoxy-1H-1-benzazepine-2,5-dione
SMILESCOc1c(I)c(=O)c2ccc(Cl)cc2[nH]c1=O
InChIInChI=1S/C11H7ClINO3/c1-17-10-8(13)9(15)6-3-2-5(12)4-7(6)14-11(10)16/h2-4H,1H3,(H,14,16)
InChIKeySHIADPSEHXQSIY-UHFFFAOYSA-N
MW363.54 g/mol
LogP2.15
Rot. Bonds1

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

8-chloro-4-iodo-3-methoxy-1H-1-benzazepine-2,5-dione (PubChem CID 18980002) has the molecular formula C11H7ClINO3 and a molecular weight of 363.54 g/mol. Its IUPAC name is 8-chloro-4-iodo-3-methoxy-1H-1-benzazepine-2,5-dione.

Molecular Properties

Compound Name8-chloro-4-iodo-3-methoxy-1H-1-benzazepine-2,5-dione
PubChem CID18980002
Molecular FormulaC11H7ClINO3
Molecular Weight363.54 g/mol
Exact Mass362.92
IUPAC Name8-chloro-4-iodo-3-methoxy-1H-1-benzazepine-2,5-dione
SMILESCOc1c(I)c(=O)c2ccc(Cl)cc2[nH]c1=O
InChIInChI=1S/C11H7ClINO3/c1-17-10-8(13)9(15)6-3-2-5(12)4-7(6)14-11(10)16/h2-4H,1H3,(H,14,16)
InChIKeySHIADPSEHXQSIY-UHFFFAOYSA-N
XLogP2.15
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.54
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-Chloro-2-methylquinolin-4-ol
CID 761550
N-(2-benzoyl-4-chlorophenyl)-2-methoxyacetamide
CID 836490
N-[2-(4-chlorobenzoyl)phenyl]acetamide
CID 14295637
n-(2-Acetyl-5-chlorophenyl)formamide
CID 243778
(E)-3-(8-chloro-3-methoxy-2,5-dioxo-1H-1-benzazepin-4-yl)-N-(2,4-difluorophenyl)prop-2-enamide
CID 18980014
3-(8-chloro-3-methoxy-2,5-dioxo-1H-1-benzazepin-4-yl)-N-(2,4-difluorophenyl)prop-2-enamide
CID 54088498
N-(2-acetyl-5-chloro-phenyl)acetamide
CID 459290
N-(2-benzoyl-5-chlorophenyl)acetamide
CID 13107956
Benzamide, N-(2-acetylphenyl)-4-chloro-
CID 3559687
4-chloro-N-(2-propanoylphenyl)benzamide
CID 4307491
N-[5-Chloro-2-(chloroacetyl)phenyl]acetamide
CID 12477788
N-(2-acetyl-5-chlorophenyl)benzamide
CID 166437175

Frequently Asked Questions

What is the IUPAC name of 8-chloro-4-iodo-3-methoxy-1H-1-benzazepine-2,5-dione?
The IUPAC name of 8-chloro-4-iodo-3-methoxy-1H-1-benzazepine-2,5-dione (CID 18980002) is 8-chloro-4-iodo-3-methoxy-1H-1-benzazepine-2,5-dione.
What is the SMILES notation for 8-chloro-4-iodo-3-methoxy-1H-1-benzazepine-2,5-dione?
The canonical SMILES for 8-chloro-4-iodo-3-methoxy-1H-1-benzazepine-2,5-dione is COc1c(I)c(=O)c2ccc(Cl)cc2[nH]c1=O.
What is the InChIKey of 8-chloro-4-iodo-3-methoxy-1H-1-benzazepine-2,5-dione?
The InChIKey is SHIADPSEHXQSIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClINO3/c1-17-10-8(13)9(15)6-3-2-5(12)4-7(6)14-11(10)16/h2-4H,1H3,(H,14,16).
What are the key properties of 8-chloro-4-iodo-3-methoxy-1H-1-benzazepine-2,5-dione?
8-chloro-4-iodo-3-methoxy-1H-1-benzazepine-2,5-dione has a molecular weight of 363.54 g/mol, XLogP of 2.15, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-4-iodo-3-methoxy-1H-1-benzazepine-2,5-dione is sourced from PubChem (CID 18980002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).