7-fluoro-9-iodo-3-methyl-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione

C10H8FIN2O2 — CID 170859690

IUPAC7-fluoro-9-iodo-3-methyl-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione
SMILESCC1NC(=O)c2cc(F)cc(I)c2NC1=O
InChIInChI=1S/C10H8FIN2O2/c1-4-9(15)14-8-6(10(16)13-4)2-5(11)3-7(8)12/h2-4H,1H3,(H,13,16)(H,14,15)
InChIKeyYSVFCFFDKSNQIR-UHFFFAOYSA-N
MW334.09 g/mol
LogP1.50
Rot. Bonds

About 7-fluoro-9-iodo-3-methyl-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione

7-fluoro-9-iodo-3-methyl-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione (PubChem CID 170859690) has the molecular formula C10H8FIN2O2 and a molecular weight of 334.09 g/mol. Its IUPAC name is 7-fluoro-9-iodo-3-methyl-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione.

Molecular Properties

Compound Name7-fluoro-9-iodo-3-methyl-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione
PubChem CID170859690
Molecular FormulaC10H8FIN2O2
Molecular Weight334.09 g/mol
Exact Mass333.96
IUPAC Name7-fluoro-9-iodo-3-methyl-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione
SMILESCC1NC(=O)c2cc(F)cc(I)c2NC1=O
InChIInChI=1S/C10H8FIN2O2/c1-4-9(15)14-8-6(10(16)13-4)2-5(11)3-7(8)12/h2-4H,1H3,(H,13,16)(H,14,15)
InChIKeyYSVFCFFDKSNQIR-UHFFFAOYSA-N
XLogP1.50
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.09
LogP ≤ 51.50
H-Bond Donors ≤ 52
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 7-fluoro-9-iodo-3-methyl-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione?
The IUPAC name of 7-fluoro-9-iodo-3-methyl-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione (CID 170859690) is 7-fluoro-9-iodo-3-methyl-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione.
What is the SMILES notation for 7-fluoro-9-iodo-3-methyl-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione?
The canonical SMILES for 7-fluoro-9-iodo-3-methyl-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione is CC1NC(=O)c2cc(F)cc(I)c2NC1=O.
What is the InChIKey of 7-fluoro-9-iodo-3-methyl-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione?
The InChIKey is YSVFCFFDKSNQIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FIN2O2/c1-4-9(15)14-8-6(10(16)13-4)2-5(11)3-7(8)12/h2-4H,1H3,(H,13,16)(H,14,15).
What are the key properties of 7-fluoro-9-iodo-3-methyl-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione?
7-fluoro-9-iodo-3-methyl-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione has a molecular weight of 334.09 g/mol, XLogP of 1.50, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-9-iodo-3-methyl-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione is sourced from PubChem (CID 170859690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).