8-fluoro-N-(3-fluoropropyl)-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide

C16H16F2N4O2 — CID 71521209

IUPAC8-fluoro-N-(3-fluoropropyl)-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide
SMILESCN1Cc2c(C(=O)NCCCF)ncn2-c2ccc(F)cc2C1=O
InChIInChI=1S/C16H16F2N4O2/c1-21-8-13-14(15(23)19-6-2-5-17)20-9-22(13)12-4-3-10(18)7-11(12)16(21)24/h3-4,7,9H,2,5-6,8H2,1H3,(H,19,23)
InChIKeyXUCRTARJRMURTA-UHFFFAOYSA-N
MW334.33 g/mol
LogP1.69
Rot. Bonds4

About 8-fluoro-N-(3-fluoropropyl)-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide

8-fluoro-N-(3-fluoropropyl)-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide (PubChem CID 71521209) has the molecular formula C16H16F2N4O2 and a molecular weight of 334.33 g/mol. Its IUPAC name is 8-fluoro-N-(3-fluoropropyl)-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide.

Molecular Properties

Compound Name8-fluoro-N-(3-fluoropropyl)-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide
PubChem CID71521209
Molecular FormulaC16H16F2N4O2
Molecular Weight334.33 g/mol
Exact Mass334.12
IUPAC Name8-fluoro-N-(3-fluoropropyl)-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide
SMILESCN1Cc2c(C(=O)NCCCF)ncn2-c2ccc(F)cc2C1=O
InChIInChI=1S/C16H16F2N4O2/c1-21-8-13-14(15(23)19-6-2-5-17)20-9-22(13)12-4-3-10(18)7-11(12)16(21)24/h3-4,7,9H,2,5-6,8H2,1H3,(H,19,23)
InChIKeyXUCRTARJRMURTA-UHFFFAOYSA-N
XLogP1.69
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.33
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-N-(3-fluoropropyl)-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide?
The IUPAC name of 8-fluoro-N-(3-fluoropropyl)-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide (CID 71521209) is 8-fluoro-N-(3-fluoropropyl)-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide.
What is the SMILES notation for 8-fluoro-N-(3-fluoropropyl)-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide?
The canonical SMILES for 8-fluoro-N-(3-fluoropropyl)-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide is CN1Cc2c(C(=O)NCCCF)ncn2-c2ccc(F)cc2C1=O.
What is the InChIKey of 8-fluoro-N-(3-fluoropropyl)-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide?
The InChIKey is XUCRTARJRMURTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N4O2/c1-21-8-13-14(15(23)19-6-2-5-17)20-9-22(13)12-4-3-10(18)7-11(12)16(21)24/h3-4,7,9H,2,5-6,8H2,1H3,(H,19,23).
What are the key properties of 8-fluoro-N-(3-fluoropropyl)-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide?
8-fluoro-N-(3-fluoropropyl)-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide has a molecular weight of 334.33 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-N-(3-fluoropropyl)-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide is sourced from PubChem (CID 71521209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).