4-fluoro-N-[(1R,5S)-8-(2-methylpyrazole-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]benzamide

C19H21FN4O2 — CID 91912185

IUPAC4-fluoro-N-[(1R,5S)-8-(2-methylpyrazole-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]benzamide
SMILESCn1nccc1C(=O)N1[C@@H]2CC[C@H]1CC(NC(=O)c1ccc(F)cc1)C2
InChIInChI=1S/C19H21FN4O2/c1-23-17(8-9-21-23)19(26)24-15-6-7-16(24)11-14(10-15)22-18(25)12-2-4-13(20)5-3-12/h2-5,8-9,14-16H,6-7,10-11H2,1H3,(H,22,25)/t14?,15-,16+
InChIKeyZUDMYTGSJNSEBE-MQVJKMGUSA-N
MW356.40 g/mol
LogP2.12
Rot. Bonds3

About 4-fluoro-N-[(1R,5S)-8-(2-methylpyrazole-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]benzamide

4-fluoro-N-[(1R,5S)-8-(2-methylpyrazole-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]benzamide (PubChem CID 91912185) has the molecular formula C19H21FN4O2 and a molecular weight of 356.40 g/mol. Its IUPAC name is 4-fluoro-N-[(1R,5S)-8-(2-methylpyrazole-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[(1R,5S)-8-(2-methylpyrazole-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]benzamide
PubChem CID91912185
Molecular FormulaC19H21FN4O2
Molecular Weight356.40 g/mol
Exact Mass356.16
IUPAC Name4-fluoro-N-[(1R,5S)-8-(2-methylpyrazole-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]benzamide
SMILESCn1nccc1C(=O)N1[C@@H]2CC[C@H]1CC(NC(=O)c1ccc(F)cc1)C2
InChIInChI=1S/C19H21FN4O2/c1-23-17(8-9-21-23)19(26)24-15-6-7-16(24)11-14(10-15)22-18(25)12-2-4-13(20)5-3-12/h2-5,8-9,14-16H,6-7,10-11H2,1H3,(H,22,25)/t14?,15-,16+
InChIKeyZUDMYTGSJNSEBE-MQVJKMGUSA-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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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(1R,5S)-8-(2-methylpyrazole-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]benzamide?
The IUPAC name of 4-fluoro-N-[(1R,5S)-8-(2-methylpyrazole-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]benzamide (CID 91912185) is 4-fluoro-N-[(1R,5S)-8-(2-methylpyrazole-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]benzamide.
What is the SMILES notation for 4-fluoro-N-[(1R,5S)-8-(2-methylpyrazole-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]benzamide?
The canonical SMILES for 4-fluoro-N-[(1R,5S)-8-(2-methylpyrazole-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]benzamide is Cn1nccc1C(=O)N1[C@@H]2CC[C@H]1CC(NC(=O)c1ccc(F)cc1)C2.
What is the InChIKey of 4-fluoro-N-[(1R,5S)-8-(2-methylpyrazole-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]benzamide?
The InChIKey is ZUDMYTGSJNSEBE-MQVJKMGUSA-N. The full InChI is InChI=1S/C19H21FN4O2/c1-23-17(8-9-21-23)19(26)24-15-6-7-16(24)11-14(10-15)22-18(25)12-2-4-13(20)5-3-12/h2-5,8-9,14-16H,6-7,10-11H2,1H3,(H,22,25)/t14?,15-,16+.
What are the key properties of 4-fluoro-N-[(1R,5S)-8-(2-methylpyrazole-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]benzamide?
4-fluoro-N-[(1R,5S)-8-(2-methylpyrazole-3-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-[(1R,5S)-8-(2-methylpyrazole-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]benzamide is sourced from PubChem (CID 91912185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).