N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-(4-fluorophenyl)-4-oxobutanamide

C19H24FNO2 — CID 3344201

IUPACN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-(4-fluorophenyl)-4-oxobutanamide
SMILESCC(NC(=O)CCC(=O)c1ccc(F)cc1)C1CC2CCC1C2
InChIInChI=1S/C19H24FNO2/c1-12(17-11-13-2-3-15(17)10-13)21-19(23)9-8-18(22)14-4-6-16(20)7-5-14/h4-7,12-13,15,17H,2-3,8-11H2,1H3,(H,21,23)
InChIKeyVNRRZAQYCVATQC-UHFFFAOYSA-N
MW317.40 g/mol
LogP3.73
Rot. Bonds6

About N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-(4-fluorophenyl)-4-oxobutanamide

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-(4-fluorophenyl)-4-oxobutanamide (PubChem CID 3344201) has the molecular formula C19H24FNO2 and a molecular weight of 317.40 g/mol. Its IUPAC name is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-(4-fluorophenyl)-4-oxobutanamide.

Molecular Properties

Compound NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-(4-fluorophenyl)-4-oxobutanamide
PubChem CID3344201
Molecular FormulaC19H24FNO2
Molecular Weight317.40 g/mol
Exact Mass317.18
IUPAC NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-(4-fluorophenyl)-4-oxobutanamide
SMILESCC(NC(=O)CCC(=O)c1ccc(F)cc1)C1CC2CCC1C2
InChIInChI=1S/C19H24FNO2/c1-12(17-11-13-2-3-15(17)10-13)21-19(23)9-8-18(22)14-4-6-16(20)7-5-14/h4-7,12-13,15,17H,2-3,8-11H2,1H3,(H,21,23)
InChIKeyVNRRZAQYCVATQC-UHFFFAOYSA-N
XLogP3.73
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.40
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-bicyclo[2.2.1]hept-2-ylethyl)-4-methylbenzamide
CID 2930917
N-(1-bicyclo[2.2.1]hept-2-ylethyl)-3-fluorobenzamide
CID 2931175
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-methylbenzamide
CID 4302595
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,4-dimethylbenzamide
CID 4661679
N-[1-(4-fluorophenyl)ethyl]-4-oxo-4-phenylbutanamide
CID 24980236
2-ethyl-N-[4-[[4-oxo-4-(4-phenylphenyl)butanoyl]amino]butyl]hexanamide
CID 51346779
(E)-N-cyclohexyl-4-oxo-4-(4-propan-2-ylphenyl)but-2-enamide
CID 71654021
4-(2,4-difluorophenyl)-4-oxo-N-(1-propan-2-ylpiperidin-4-yl)butanamide
CID 162643763
N-(1-cyclohexylpiperidin-4-yl)-4-(4-fluorophenyl)-4-oxobutanamide
CID 162664374
N-(2,3-dimethylcyclohexyl)-4-(4-fluorophenyl)-4-oxobutanamide
CID 4879123
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,4-difluorobenzamide
CID 5049786
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-fluorobenzamide
CID 5226154

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-(4-fluorophenyl)-4-oxobutanamide?
The IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-(4-fluorophenyl)-4-oxobutanamide (CID 3344201) is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-(4-fluorophenyl)-4-oxobutanamide.
What is the SMILES notation for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-(4-fluorophenyl)-4-oxobutanamide?
The canonical SMILES for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-(4-fluorophenyl)-4-oxobutanamide is CC(NC(=O)CCC(=O)c1ccc(F)cc1)C1CC2CCC1C2.
What is the InChIKey of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-(4-fluorophenyl)-4-oxobutanamide?
The InChIKey is VNRRZAQYCVATQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FNO2/c1-12(17-11-13-2-3-15(17)10-13)21-19(23)9-8-18(22)14-4-6-16(20)7-5-14/h4-7,12-13,15,17H,2-3,8-11H2,1H3,(H,21,23).
What are the key properties of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-(4-fluorophenyl)-4-oxobutanamide?
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-(4-fluorophenyl)-4-oxobutanamide has a molecular weight of 317.40 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-(4-fluorophenyl)-4-oxobutanamide is sourced from PubChem (CID 3344201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).