4-fluoro-N-[8-(1-methylimidazole-4-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]benzamide

C19H21FN4O2 — CID 156610381

IUPAC4-fluoro-N-[8-(1-methylimidazole-4-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]benzamide
SMILESCn1cnc(C(=O)N2C3CCC2CC(NC(=O)c2ccc(F)cc2)C3)c1
InChIInChI=1S/C19H21FN4O2/c1-23-10-17(21-11-23)19(26)24-15-6-7-16(24)9-14(8-15)22-18(25)12-2-4-13(20)5-3-12/h2-5,10-11,14-16H,6-9H2,1H3,(H,22,25)
InChIKeyAWUQAXYYBASMOS-UHFFFAOYSA-N
MW356.40 g/mol
LogP2.12
Rot. Bonds3

About 4-fluoro-N-[8-(1-methylimidazole-4-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]benzamide

4-fluoro-N-[8-(1-methylimidazole-4-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]benzamide (PubChem CID 156610381) has the molecular formula C19H21FN4O2 and a molecular weight of 356.40 g/mol. Its IUPAC name is 4-fluoro-N-[8-(1-methylimidazole-4-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[8-(1-methylimidazole-4-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]benzamide
PubChem CID156610381
Molecular FormulaC19H21FN4O2
Molecular Weight356.40 g/mol
Exact Mass356.16
IUPAC Name4-fluoro-N-[8-(1-methylimidazole-4-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]benzamide
SMILESCn1cnc(C(=O)N2C3CCC2CC(NC(=O)c2ccc(F)cc2)C3)c1
InChIInChI=1S/C19H21FN4O2/c1-23-10-17(21-11-23)19(26)24-15-6-7-16(24)9-14(8-15)22-18(25)12-2-4-13(20)5-3-12/h2-5,10-11,14-16H,6-9H2,1H3,(H,22,25)
InChIKeyAWUQAXYYBASMOS-UHFFFAOYSA-N
XLogP2.12
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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5-(Azetidine-1-carbonyl)-2,3-dimethyl-3H-imidazole-4-carboxylic acid [2-(1-methyl-4-phenyl-1H-imidazol-2-yl)-ethyl]-amide
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Azd-5597
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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[8-(1-methylimidazole-4-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]benzamide?
The IUPAC name of 4-fluoro-N-[8-(1-methylimidazole-4-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]benzamide (CID 156610381) is 4-fluoro-N-[8-(1-methylimidazole-4-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]benzamide.
What is the SMILES notation for 4-fluoro-N-[8-(1-methylimidazole-4-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]benzamide?
The canonical SMILES for 4-fluoro-N-[8-(1-methylimidazole-4-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]benzamide is Cn1cnc(C(=O)N2C3CCC2CC(NC(=O)c2ccc(F)cc2)C3)c1.
What is the InChIKey of 4-fluoro-N-[8-(1-methylimidazole-4-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]benzamide?
The InChIKey is AWUQAXYYBASMOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O2/c1-23-10-17(21-11-23)19(26)24-15-6-7-16(24)9-14(8-15)22-18(25)12-2-4-13(20)5-3-12/h2-5,10-11,14-16H,6-9H2,1H3,(H,22,25).
What are the key properties of 4-fluoro-N-[8-(1-methylimidazole-4-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]benzamide?
4-fluoro-N-[8-(1-methylimidazole-4-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]benzamide has a molecular weight of 356.40 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[8-(1-methylimidazole-4-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]benzamide is sourced from PubChem (CID 156610381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).