N-[(1S,5R)-2-acetyl-6,6-dimethyl-3-bicyclo[3.1.0]hex-2-enyl]-2-fluorobenzamide

C17H18FNO2 — CID 660183

IUPACN-[(1S,5R)-2-acetyl-6,6-dimethyl-3-bicyclo[3.1.0]hex-2-enyl]-2-fluorobenzamide
SMILESCC(=O)C1=C(NC(=O)c2ccccc2F)C[C@@H]2[C@H]1C2(C)C
InChIInChI=1S/C17H18FNO2/c1-9(20)14-13(8-11-15(14)17(11,2)3)19-16(21)10-6-4-5-7-12(10)18/h4-7,11,15H,8H2,1-3H3,(H,19,21)/t11-,15-/m1/s1
InChIKeyHYNKOXBDDMRJGU-IAQYHMDHSA-N
MW287.33 g/mol
LogP3.07
Rot. Bonds3

About N-[(1S,5R)-2-acetyl-6,6-dimethyl-3-bicyclo[3.1.0]hex-2-enyl]-2-fluorobenzamide

N-[(1S,5R)-2-acetyl-6,6-dimethyl-3-bicyclo[3.1.0]hex-2-enyl]-2-fluorobenzamide (PubChem CID 660183) has the molecular formula C17H18FNO2 and a molecular weight of 287.33 g/mol. Its IUPAC name is N-[(1S,5R)-2-acetyl-6,6-dimethyl-3-bicyclo[3.1.0]hex-2-enyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[(1S,5R)-2-acetyl-6,6-dimethyl-3-bicyclo[3.1.0]hex-2-enyl]-2-fluorobenzamide
PubChem CID660183
Molecular FormulaC17H18FNO2
Molecular Weight287.33 g/mol
Exact Mass287.13
IUPAC NameN-[(1S,5R)-2-acetyl-6,6-dimethyl-3-bicyclo[3.1.0]hex-2-enyl]-2-fluorobenzamide
SMILESCC(=O)C1=C(NC(=O)c2ccccc2F)C[C@@H]2[C@H]1C2(C)C
InChIInChI=1S/C17H18FNO2/c1-9(20)14-13(8-11-15(14)17(11,2)3)19-16(21)10-6-4-5-7-12(10)18/h4-7,11,15H,8H2,1-3H3,(H,19,21)/t11-,15-/m1/s1
InChIKeyHYNKOXBDDMRJGU-IAQYHMDHSA-N
XLogP3.07
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(1S,5R)-2-acetyl-6,6-dimethyl-3-bicyclo[3.1.0]hex-2-enyl]-2-fluorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1S,5R)-2-acetyl-6,6-dimethyl-3-bicyclo[3.1.0]hex-2-enyl]-2-fluorobenzamide?
The IUPAC name of N-[(1S,5R)-2-acetyl-6,6-dimethyl-3-bicyclo[3.1.0]hex-2-enyl]-2-fluorobenzamide (CID 660183) is N-[(1S,5R)-2-acetyl-6,6-dimethyl-3-bicyclo[3.1.0]hex-2-enyl]-2-fluorobenzamide.
What is the SMILES notation for N-[(1S,5R)-2-acetyl-6,6-dimethyl-3-bicyclo[3.1.0]hex-2-enyl]-2-fluorobenzamide?
The canonical SMILES for N-[(1S,5R)-2-acetyl-6,6-dimethyl-3-bicyclo[3.1.0]hex-2-enyl]-2-fluorobenzamide is CC(=O)C1=C(NC(=O)c2ccccc2F)C[C@@H]2[C@H]1C2(C)C.
What is the InChIKey of N-[(1S,5R)-2-acetyl-6,6-dimethyl-3-bicyclo[3.1.0]hex-2-enyl]-2-fluorobenzamide?
The InChIKey is HYNKOXBDDMRJGU-IAQYHMDHSA-N. The full InChI is InChI=1S/C17H18FNO2/c1-9(20)14-13(8-11-15(14)17(11,2)3)19-16(21)10-6-4-5-7-12(10)18/h4-7,11,15H,8H2,1-3H3,(H,19,21)/t11-,15-/m1/s1.
What are the key properties of N-[(1S,5R)-2-acetyl-6,6-dimethyl-3-bicyclo[3.1.0]hex-2-enyl]-2-fluorobenzamide?
N-[(1S,5R)-2-acetyl-6,6-dimethyl-3-bicyclo[3.1.0]hex-2-enyl]-2-fluorobenzamide has a molecular weight of 287.33 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,5R)-2-acetyl-6,6-dimethyl-3-bicyclo[3.1.0]hex-2-enyl]-2-fluorobenzamide is sourced from PubChem (CID 660183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).