N-[2-[2-(trifluoromethyl)phenyl]cycloheptyl]propanamide

C17H22F3NO — CID 75399293

IUPACN-[2-[2-(trifluoromethyl)phenyl]cycloheptyl]propanamide
SMILESCCC(=O)NC1CCCCCC1c1ccccc1C(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)
InChIKeyKNUNPKHXOAALJS-UHFFFAOYSA-N
MW313.36 g/mol
LogP4.65
Rot. Bonds3

About N-[2-[2-(trifluoromethyl)phenyl]cycloheptyl]propanamide

N-[2-[2-(trifluoromethyl)phenyl]cycloheptyl]propanamide (PubChem CID 75399293) has the molecular formula C17H22F3NO and a molecular weight of 313.36 g/mol. Its IUPAC name is N-[2-[2-(trifluoromethyl)phenyl]cycloheptyl]propanamide.

Molecular Properties

Compound NameN-[2-[2-(trifluoromethyl)phenyl]cycloheptyl]propanamide
PubChem CID75399293
Molecular FormulaC17H22F3NO
Molecular Weight313.36 g/mol
Exact Mass313.17
IUPAC NameN-[2-[2-(trifluoromethyl)phenyl]cycloheptyl]propanamide
SMILESCCC(=O)NC1CCCCCC1c1ccccc1C(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)
InChIKeyKNUNPKHXOAALJS-UHFFFAOYSA-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

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Related Compounds

N-[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cycloheptyl]propanamide
CID 97256128
2-(methylamino)-N-[2-[2-(trifluoromethyl)phenyl]cyclopentyl]acetamide;hydrochloride
CID 120705635
4-hydroxy-N-[2-[2-(trifluoromethyl)phenyl]cycloheptyl]oxane-4-carboxamide
CID 102554068
2-(triazol-1-yl)-N-[2-[2-(trifluoromethyl)phenyl]cyclopentyl]acetamide
CID 75397270
2-(triazol-1-yl)-N-[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopentyl]acetamide
CID 97157859
2-methyl-N-[(1S,2S)-2-[2-(trifluoromethyl)phenyl]cyclobutyl]benzamide
CID 144740074
N-[[2-[2-(trifluoromethyl)phenyl]cycloheptyl]methyl]ethanamine
CID 81032598
2-iodo-N-[(1S)-2-[2-(trifluoromethyl)phenyl]cyclobutyl]benzamide
CID 152994869
3-amino-N-[2-[2-(trifluoromethyl)phenyl]cyclopropyl]butanamide;hydrochloride
CID 119766578
3-acetamido-N-[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]propanamide
CID 95273692
3-acetamido-N-[(1S,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]propanamide
CID 95273694
5-[(2R)-oxolan-2-yl]-N-[(1R,2R)-2-[2-(trifluoromethyl)phenyl]cycloheptyl]-1,3-oxazole-4-carboxamide
CID 98856027

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(trifluoromethyl)phenyl]cycloheptyl]propanamide?
The IUPAC name of N-[2-[2-(trifluoromethyl)phenyl]cycloheptyl]propanamide (CID 75399293) is N-[2-[2-(trifluoromethyl)phenyl]cycloheptyl]propanamide.
What is the SMILES notation for N-[2-[2-(trifluoromethyl)phenyl]cycloheptyl]propanamide?
The canonical SMILES for N-[2-[2-(trifluoromethyl)phenyl]cycloheptyl]propanamide is CCC(=O)NC1CCCCCC1c1ccccc1C(F)(F)F.
What is the InChIKey of N-[2-[2-(trifluoromethyl)phenyl]cycloheptyl]propanamide?
The InChIKey is KNUNPKHXOAALJS-UHFFFAOYSA-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).
What are the key properties of N-[2-[2-(trifluoromethyl)phenyl]cycloheptyl]propanamide?
N-[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-[2-[2-(trifluoromethyl)phenyl]cycloheptyl]propanamide is sourced from PubChem (CID 75399293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).