N-(2-fluorophenyl)-2-[(1S,6R)-4-oxo-3,9-diazabicyclo[4.2.1]nonan-9-yl]acetamide

C15H18FN3O2 — CID 124787103

IUPACN-(2-fluorophenyl)-2-[(1S,6R)-4-oxo-3,9-diazabicyclo[4.2.1]nonan-9-yl]acetamide
SMILESO=C1C[C@H]2CC[C@@H](CN1)N2CC(=O)Nc1ccccc1F
InChIInChI=1S/C15H18FN3O2/c16-12-3-1-2-4-13(12)18-15(21)9-19-10-5-6-11(19)8-17-14(20)7-10/h1-4,10-11H,5-9H2,(H,17,20)(H,18,21)/t10-,11+/m1/s1
InChIKeyJPJSFVJYFXVFHO-MNOVXSKESA-N
MW291.33 g/mol
LogP1.12
Rot. Bonds3

About N-(2-fluorophenyl)-2-[(1S,6R)-4-oxo-3,9-diazabicyclo[4.2.1]nonan-9-yl]acetamide

N-(2-fluorophenyl)-2-[(1S,6R)-4-oxo-3,9-diazabicyclo[4.2.1]nonan-9-yl]acetamide (PubChem CID 124787103) has the molecular formula C15H18FN3O2 and a molecular weight of 291.33 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-[(1S,6R)-4-oxo-3,9-diazabicyclo[4.2.1]nonan-9-yl]acetamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-[(1S,6R)-4-oxo-3,9-diazabicyclo[4.2.1]nonan-9-yl]acetamide
PubChem CID124787103
Molecular FormulaC15H18FN3O2
Molecular Weight291.33 g/mol
Exact Mass291.14
IUPAC NameN-(2-fluorophenyl)-2-[(1S,6R)-4-oxo-3,9-diazabicyclo[4.2.1]nonan-9-yl]acetamide
SMILESO=C1C[C@H]2CC[C@@H](CN1)N2CC(=O)Nc1ccccc1F
InChIInChI=1S/C15H18FN3O2/c16-12-3-1-2-4-13(12)18-15(21)9-19-10-5-6-11(19)8-17-14(20)7-10/h1-4,10-11H,5-9H2,(H,17,20)(H,18,21)/t10-,11+/m1/s1
InChIKeyJPJSFVJYFXVFHO-MNOVXSKESA-N
XLogP1.12
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(2-fluorophenyl)-2-[(1S,6R)-4-oxo-3,9-diazabicyclo[4.2.1]nonan-9-yl]acetamide with MolForge

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Related Compounds

2-(4-oxo-3,9-diazabicyclo[4.2.1]nonan-9-yl)-N-(1-phenylethyl)acetamide
CID 6488066
1-[2-(2-fluoroanilino)-2-oxoethyl]-5-oxopiperazine-2-carboxylic acid
CID 107439777
N-(2-fluorophenyl)-2-[(1R,5R)-3-(furan-2-yl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]acetamide
CID 98060166
2-(2,5-dioxoimidazolidin-1-yl)-N-(2-fluorophenyl)acetamide
CID 110686766
2-(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)-N-(2-fluorophenyl)acetamide
CID 87022436
2-[3-[cyclopropyl(hydroxy)methyl]pyrrol-1-yl]-N-(2-fluorophenyl)acetamide
CID 79099095
2-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-(2-fluorophenyl)acetamide;hydrochloride
CID 120663957
N-(2-fluorophenyl)-2-[4-(methylamino)piperidin-1-yl]acetamide
CID 54923773
9-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3,9-diazabicyclo[4.2.1]nonan-4-one
CID 127409897
N-[(4-methoxyphenyl)methyl]-2-[(1R,6S)-4-oxo-3,10-diazabicyclo[4.3.1]decan-10-yl]acetamide
CID 11904696
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-(2-fluorophenyl)acetamide
CID 22194026
2-(3-aminopyrrolidin-1-yl)-N-(2-fluorophenyl)acetamide;hydrochloride
CID 119917633

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-[(1S,6R)-4-oxo-3,9-diazabicyclo[4.2.1]nonan-9-yl]acetamide?
The IUPAC name of N-(2-fluorophenyl)-2-[(1S,6R)-4-oxo-3,9-diazabicyclo[4.2.1]nonan-9-yl]acetamide (CID 124787103) is N-(2-fluorophenyl)-2-[(1S,6R)-4-oxo-3,9-diazabicyclo[4.2.1]nonan-9-yl]acetamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-[(1S,6R)-4-oxo-3,9-diazabicyclo[4.2.1]nonan-9-yl]acetamide?
The canonical SMILES for N-(2-fluorophenyl)-2-[(1S,6R)-4-oxo-3,9-diazabicyclo[4.2.1]nonan-9-yl]acetamide is O=C1C[C@H]2CC[C@@H](CN1)N2CC(=O)Nc1ccccc1F.
What is the InChIKey of N-(2-fluorophenyl)-2-[(1S,6R)-4-oxo-3,9-diazabicyclo[4.2.1]nonan-9-yl]acetamide?
The InChIKey is JPJSFVJYFXVFHO-MNOVXSKESA-N. The full InChI is InChI=1S/C15H18FN3O2/c16-12-3-1-2-4-13(12)18-15(21)9-19-10-5-6-11(19)8-17-14(20)7-10/h1-4,10-11H,5-9H2,(H,17,20)(H,18,21)/t10-,11+/m1/s1.
What are the key properties of N-(2-fluorophenyl)-2-[(1S,6R)-4-oxo-3,9-diazabicyclo[4.2.1]nonan-9-yl]acetamide?
N-(2-fluorophenyl)-2-[(1S,6R)-4-oxo-3,9-diazabicyclo[4.2.1]nonan-9-yl]acetamide has a molecular weight of 291.33 g/mol, XLogP of 1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-[(1S,6R)-4-oxo-3,9-diazabicyclo[4.2.1]nonan-9-yl]acetamide is sourced from PubChem (CID 124787103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).