(3-fluoro-4-nitrophenyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone

C14H15FN2O4 — CID 63762184

IUPAC(3-fluoro-4-nitrophenyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
SMILESO=C(c1ccc([N+](=O)[O-])c(F)c1)N1C2CCC1CC(O)C2
InChIInChI=1S/C14H15FN2O4/c15-12-5-8(1-4-13(12)17(20)21)14(19)16-9-2-3-10(16)7-11(18)6-9/h1,4-5,9-11,18H,2-3,6-7H2
InChIKeyFQBGJEXTNMNAGD-UHFFFAOYSA-N
MW294.28 g/mol
LogP1.86
Rot. Bonds2

About (3-fluoro-4-nitrophenyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone

(3-fluoro-4-nitrophenyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone (PubChem CID 63762184) has the molecular formula C14H15FN2O4 and a molecular weight of 294.28 g/mol. Its IUPAC name is (3-fluoro-4-nitrophenyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone.

Molecular Properties

Compound Name(3-fluoro-4-nitrophenyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
PubChem CID63762184
Molecular FormulaC14H15FN2O4
Molecular Weight294.28 g/mol
Exact Mass294.10
IUPAC Name(3-fluoro-4-nitrophenyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
SMILESO=C(c1ccc([N+](=O)[O-])c(F)c1)N1C2CCC1CC(O)C2
InChIInChI=1S/C14H15FN2O4/c15-12-5-8(1-4-13(12)17(20)21)14(19)16-9-2-3-10(16)7-11(18)6-9/h1,4-5,9-11,18H,2-3,6-7H2
InChIKeyFQBGJEXTNMNAGD-UHFFFAOYSA-N
XLogP1.86
TPSA83.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.28
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2,6-dimethylpiperidin-1-yl)-(3-fluoro-4-nitrophenyl)methanone
CID 62682342
(4-fluoro-3-hydroxyphenyl)-[(1R,5S)-3-hydroxy-9-azabicyclo[3.3.1]nonan-9-yl]methanone
CID 163307294
(4-fluoro-3-methoxyphenyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 81002135
(3-fluoro-4-nitrophenyl)-piperidin-1-ylmethanone
CID 62681083
(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 63763280
[3,5-difluoro-4-(methylamino)phenyl]-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 63770035
(4-bromo-3-methylphenyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 112705964
(3-fluoro-4-nitrophenyl)-piperazin-1-ylmethanone
CID 86004677
(3-fluoro-4-nitrophenyl)-(1-oxo-1,4-thiazinan-4-yl)methanone
CID 62682000
9H-fluoren-3-yl-[(1R,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]methanone
CID 25103336
3-fluoro-4-nitrobenzamide
CID 11423967
(3-chloro-4-methylphenyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 55241627

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-nitrophenyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone?
The IUPAC name of (3-fluoro-4-nitrophenyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone (CID 63762184) is (3-fluoro-4-nitrophenyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone.
What is the SMILES notation for (3-fluoro-4-nitrophenyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone?
The canonical SMILES for (3-fluoro-4-nitrophenyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone is O=C(c1ccc([N+](=O)[O-])c(F)c1)N1C2CCC1CC(O)C2.
What is the InChIKey of (3-fluoro-4-nitrophenyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone?
The InChIKey is FQBGJEXTNMNAGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O4/c15-12-5-8(1-4-13(12)17(20)21)14(19)16-9-2-3-10(16)7-11(18)6-9/h1,4-5,9-11,18H,2-3,6-7H2.
What are the key properties of (3-fluoro-4-nitrophenyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone?
(3-fluoro-4-nitrophenyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone has a molecular weight of 294.28 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-nitrophenyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone is sourced from PubChem (CID 63762184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).