2-(2-bicyclo[2.2.1]heptanyl)-N-(4-fluoro-3-nitrophenyl)acetamide

C15H17FN2O3 — CID 51163873

IUPAC2-(2-bicyclo[2.2.1]heptanyl)-N-(4-fluoro-3-nitrophenyl)acetamide
SMILESO=C(CC1CC2CCC1C2)Nc1ccc(F)c([N+](=O)[O-])c1
InChIInChI=1S/C15H17FN2O3/c16-13-4-3-12(8-14(13)18(20)21)17-15(19)7-11-6-9-1-2-10(11)5-9/h3-4,8-11H,1-2,5-7H2,(H,17,19)
InChIKeyQXKPBVBDVMWHGY-UHFFFAOYSA-N
MW292.31 g/mol
LogP3.50
Rot. Bonds4

About 2-(2-bicyclo[2.2.1]heptanyl)-N-(4-fluoro-3-nitrophenyl)acetamide

2-(2-bicyclo[2.2.1]heptanyl)-N-(4-fluoro-3-nitrophenyl)acetamide (PubChem CID 51163873) has the molecular formula C15H17FN2O3 and a molecular weight of 292.31 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)-N-(4-fluoro-3-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)-N-(4-fluoro-3-nitrophenyl)acetamide
PubChem CID51163873
Molecular FormulaC15H17FN2O3
Molecular Weight292.31 g/mol
Exact Mass292.12
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)-N-(4-fluoro-3-nitrophenyl)acetamide
SMILESO=C(CC1CC2CCC1C2)Nc1ccc(F)c([N+](=O)[O-])c1
InChIInChI=1S/C15H17FN2O3/c16-13-4-3-12(8-14(13)18(20)21)17-15(19)7-11-6-9-1-2-10(11)5-9/h3-4,8-11H,1-2,5-7H2,(H,17,19)
InChIKeyQXKPBVBDVMWHGY-UHFFFAOYSA-N
XLogP3.50
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(3-chloro-4-fluorophenyl)acetamide
CID 11915186
(1R,2R,4S)-N-(4-fluoro-3-nitrophenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 737724
(1S,2S,4S)-N-(4-fluoro-3-nitrophenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 7065620
2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-(4-fluorophenyl)acetamide
CID 7947448
2-cyclohexyl-N-(4-fluoro-3-nitrophenyl)acetamide
CID 4784963
N-(4-acetamidophenyl)-2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetamide
CID 11914325
2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-naphthalen-2-ylacetamide
CID 23307105
2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-naphthalen-2-ylacetamide
CID 7740170
2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-(5-chloro-2-fluorophenyl)acetamide
CID 18557378
2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-(2-methyl-3-nitrophenyl)acetamide
CID 21175281
2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-(4-methylphenyl)acetamide
CID 7733743
2-(2-bicyclo[2.2.1]heptanyl)-N-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 4811761

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N-(4-fluoro-3-nitrophenyl)acetamide?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N-(4-fluoro-3-nitrophenyl)acetamide (CID 51163873) is 2-(2-bicyclo[2.2.1]heptanyl)-N-(4-fluoro-3-nitrophenyl)acetamide.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-N-(4-fluoro-3-nitrophenyl)acetamide?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-N-(4-fluoro-3-nitrophenyl)acetamide is O=C(CC1CC2CCC1C2)Nc1ccc(F)c([N+](=O)[O-])c1.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-N-(4-fluoro-3-nitrophenyl)acetamide?
The InChIKey is QXKPBVBDVMWHGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O3/c16-13-4-3-12(8-14(13)18(20)21)17-15(19)7-11-6-9-1-2-10(11)5-9/h3-4,8-11H,1-2,5-7H2,(H,17,19).
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-N-(4-fluoro-3-nitrophenyl)acetamide?
2-(2-bicyclo[2.2.1]heptanyl)-N-(4-fluoro-3-nitrophenyl)acetamide has a molecular weight of 292.31 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]heptanyl)-N-(4-fluoro-3-nitrophenyl)acetamide is sourced from PubChem (CID 51163873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).