N-(2-fluorophenyl)-3-hydroxy-3-(1-methylimidazol-2-yl)-8-azabicyclo[3.2.1]octane-8-carboxamide

C18H21FN4O2 — CID 16670352

IUPACN-(2-fluorophenyl)-3-hydroxy-3-(1-methylimidazol-2-yl)-8-azabicyclo[3.2.1]octane-8-carboxamide
SMILESCn1ccnc1C1(O)CC2CCC(C1)N2C(=O)Nc1ccccc1F
InChIInChI=1S/C18H21FN4O2/c1-22-9-8-20-16(22)18(25)10-12-6-7-13(11-18)23(12)17(24)21-15-5-3-2-4-14(15)19/h2-5,8-9,12-13,25H,6-7,10-11H2,1H3,(H,21,24)
InChIKeyKDVQPSZNKIQROT-UHFFFAOYSA-N
MW344.39 g/mol
LogP2.61
Rot. Bonds2

About N-(2-fluorophenyl)-3-hydroxy-3-(1-methylimidazol-2-yl)-8-azabicyclo[3.2.1]octane-8-carboxamide

N-(2-fluorophenyl)-3-hydroxy-3-(1-methylimidazol-2-yl)-8-azabicyclo[3.2.1]octane-8-carboxamide (PubChem CID 16670352) has the molecular formula C18H21FN4O2 and a molecular weight of 344.39 g/mol. Its IUPAC name is N-(2-fluorophenyl)-3-hydroxy-3-(1-methylimidazol-2-yl)-8-azabicyclo[3.2.1]octane-8-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-3-hydroxy-3-(1-methylimidazol-2-yl)-8-azabicyclo[3.2.1]octane-8-carboxamide
PubChem CID16670352
Molecular FormulaC18H21FN4O2
Molecular Weight344.39 g/mol
Exact Mass344.16
IUPAC NameN-(2-fluorophenyl)-3-hydroxy-3-(1-methylimidazol-2-yl)-8-azabicyclo[3.2.1]octane-8-carboxamide
SMILESCn1ccnc1C1(O)CC2CCC(C1)N2C(=O)Nc1ccccc1F
InChIInChI=1S/C18H21FN4O2/c1-22-9-8-20-16(22)18(25)10-12-6-7-13(11-18)23(12)17(24)21-15-5-3-2-4-14(15)19/h2-5,8-9,12-13,25H,6-7,10-11H2,1H3,(H,21,24)
InChIKeyKDVQPSZNKIQROT-UHFFFAOYSA-N
XLogP2.61
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-3-hydroxy-3-(1-methylimidazol-2-yl)-8-azabicyclo[3.2.1]octane-8-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-3-hydroxy-3-(1-methylimidazol-2-yl)-8-azabicyclo[3.2.1]octane-8-carboxamide (CID 16670352) is N-(2-fluorophenyl)-3-hydroxy-3-(1-methylimidazol-2-yl)-8-azabicyclo[3.2.1]octane-8-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-3-hydroxy-3-(1-methylimidazol-2-yl)-8-azabicyclo[3.2.1]octane-8-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-3-hydroxy-3-(1-methylimidazol-2-yl)-8-azabicyclo[3.2.1]octane-8-carboxamide is Cn1ccnc1C1(O)CC2CCC(C1)N2C(=O)Nc1ccccc1F.
What is the InChIKey of N-(2-fluorophenyl)-3-hydroxy-3-(1-methylimidazol-2-yl)-8-azabicyclo[3.2.1]octane-8-carboxamide?
The InChIKey is KDVQPSZNKIQROT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O2/c1-22-9-8-20-16(22)18(25)10-12-6-7-13(11-18)23(12)17(24)21-15-5-3-2-4-14(15)19/h2-5,8-9,12-13,25H,6-7,10-11H2,1H3,(H,21,24).
What are the key properties of N-(2-fluorophenyl)-3-hydroxy-3-(1-methylimidazol-2-yl)-8-azabicyclo[3.2.1]octane-8-carboxamide?
N-(2-fluorophenyl)-3-hydroxy-3-(1-methylimidazol-2-yl)-8-azabicyclo[3.2.1]octane-8-carboxamide has a molecular weight of 344.39 g/mol, XLogP of 2.61, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-3-hydroxy-3-(1-methylimidazol-2-yl)-8-azabicyclo[3.2.1]octane-8-carboxamide is sourced from PubChem (CID 16670352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).