N-[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cycloheptyl]propanamide

C17H22F3NO — CID 97256128

IUPACN-[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cycloheptyl]propanamide
SMILESCCC(=O)N[C@H]1CCCCC[C@@H]1c1ccccc1C(F)(F)F
InChIInChI=1S/C17H22F3NO/c1-2-16(22)21-15-11-5-3-4-9-13(15)12-8-6-7-10-14(12)17(18,19)20/h6-8,10,13,15H,2-5,9,11H2,1H3,(H,21,22)/t13-,15+/m1/s1
InChIKeyKNUNPKHXOAALJS-HIFRSBDPSA-N
MW313.36 g/mol
LogP4.65
Rot. Bonds3

About N-[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cycloheptyl]propanamide

N-[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cycloheptyl]propanamide (PubChem CID 97256128) has the molecular formula C17H22F3NO and a molecular weight of 313.36 g/mol. Its IUPAC name is N-[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cycloheptyl]propanamide.

Molecular Properties

Compound NameN-[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cycloheptyl]propanamide
PubChem CID97256128
Molecular FormulaC17H22F3NO
Molecular Weight313.36 g/mol
Exact Mass313.17
IUPAC NameN-[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cycloheptyl]propanamide
SMILESCCC(=O)N[C@H]1CCCCC[C@@H]1c1ccccc1C(F)(F)F
InChIInChI=1S/C17H22F3NO/c1-2-16(22)21-15-11-5-3-4-9-13(15)12-8-6-7-10-14(12)17(18,19)20/h6-8,10,13,15H,2-5,9,11H2,1H3,(H,21,22)/t13-,15+/m1/s1
InChIKeyKNUNPKHXOAALJS-HIFRSBDPSA-N
XLogP4.65
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cycloheptyl]propanamide 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,2R)-2-[2-(trifluoromethyl)phenyl]cycloheptyl]propanamide?
The IUPAC name of N-[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cycloheptyl]propanamide (CID 97256128) is N-[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cycloheptyl]propanamide.
What is the SMILES notation for N-[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cycloheptyl]propanamide?
The canonical SMILES for N-[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cycloheptyl]propanamide is CCC(=O)N[C@H]1CCCCC[C@@H]1c1ccccc1C(F)(F)F.
What is the InChIKey of N-[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cycloheptyl]propanamide?
The InChIKey is KNUNPKHXOAALJS-HIFRSBDPSA-N. The full InChI is InChI=1S/C17H22F3NO/c1-2-16(22)21-15-11-5-3-4-9-13(15)12-8-6-7-10-14(12)17(18,19)20/h6-8,10,13,15H,2-5,9,11H2,1H3,(H,21,22)/t13-,15+/m1/s1.
What are the key properties of N-[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cycloheptyl]propanamide?
N-[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cycloheptyl]propanamide has a molecular weight of 313.36 g/mol, XLogP of 4.65, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cycloheptyl]propanamide is sourced from PubChem (CID 97256128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).