N-(4-fluorophenyl)-2-[3-hydroxy-3-(1-methylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]acetamide

C19H23FN4O2 — CID 16669795

IUPACN-(4-fluorophenyl)-2-[3-hydroxy-3-(1-methylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]acetamide
SMILESCn1ccnc1C1(O)CC2CCC(C1)N2CC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C19H23FN4O2/c1-23-9-8-21-18(23)19(26)10-15-6-7-16(11-19)24(15)12-17(25)22-14-4-2-13(20)3-5-14/h2-5,8-9,15-16,26H,6-7,10-12H2,1H3,(H,22,25)
InChIKeyFVLLMPZGZYJEKE-UHFFFAOYSA-N
MW358.42 g/mol
LogP2.01
Rot. Bonds4

About N-(4-fluorophenyl)-2-[3-hydroxy-3-(1-methylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]acetamide

N-(4-fluorophenyl)-2-[3-hydroxy-3-(1-methylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]acetamide (PubChem CID 16669795) has the molecular formula C19H23FN4O2 and a molecular weight of 358.42 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[3-hydroxy-3-(1-methylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[3-hydroxy-3-(1-methylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]acetamide
PubChem CID16669795
Molecular FormulaC19H23FN4O2
Molecular Weight358.42 g/mol
Exact Mass358.18
IUPAC NameN-(4-fluorophenyl)-2-[3-hydroxy-3-(1-methylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]acetamide
SMILESCn1ccnc1C1(O)CC2CCC(C1)N2CC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C19H23FN4O2/c1-23-9-8-21-18(23)19(26)10-15-6-7-16(11-19)24(15)12-17(25)22-14-4-2-13(20)3-5-14/h2-5,8-9,15-16,26H,6-7,10-12H2,1H3,(H,22,25)
InChIKeyFVLLMPZGZYJEKE-UHFFFAOYSA-N
XLogP2.01
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[3-hydroxy-3-(1-methylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[3-hydroxy-3-(1-methylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]acetamide (CID 16669795) is N-(4-fluorophenyl)-2-[3-hydroxy-3-(1-methylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[3-hydroxy-3-(1-methylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[3-hydroxy-3-(1-methylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]acetamide is Cn1ccnc1C1(O)CC2CCC(C1)N2CC(=O)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-[3-hydroxy-3-(1-methylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]acetamide?
The InChIKey is FVLLMPZGZYJEKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O2/c1-23-9-8-21-18(23)19(26)10-15-6-7-16(11-19)24(15)12-17(25)22-14-4-2-13(20)3-5-14/h2-5,8-9,15-16,26H,6-7,10-12H2,1H3,(H,22,25).
What are the key properties of N-(4-fluorophenyl)-2-[3-hydroxy-3-(1-methylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]acetamide?
N-(4-fluorophenyl)-2-[3-hydroxy-3-(1-methylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]acetamide has a molecular weight of 358.42 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[3-hydroxy-3-(1-methylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]acetamide is sourced from PubChem (CID 16669795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).