2-(cycloheptylamino)-N-[2-(trifluoromethyl)phenyl]acetamide

C16H21F3N2O — CID 109005582

IUPAC2-(cycloheptylamino)-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CNC1CCCCCC1)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C16H21F3N2O/c17-16(18,19)13-9-5-6-10-14(13)21-15(22)11-20-12-7-3-1-2-4-8-12/h5-6,9-10,12,20H,1-4,7-8,11H2,(H,21,22)
InChIKeyWEPFMWUOGQCWED-UHFFFAOYSA-N
MW314.35 g/mol
LogP3.96
Rot. Bonds4

About 2-(cycloheptylamino)-N-[2-(trifluoromethyl)phenyl]acetamide

2-(cycloheptylamino)-N-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 109005582) has the molecular formula C16H21F3N2O and a molecular weight of 314.35 g/mol. Its IUPAC name is 2-(cycloheptylamino)-N-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(cycloheptylamino)-N-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID109005582
Molecular FormulaC16H21F3N2O
Molecular Weight314.35 g/mol
Exact Mass314.16
IUPAC Name2-(cycloheptylamino)-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CNC1CCCCCC1)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C16H21F3N2O/c17-16(18,19)13-9-5-6-10-14(13)21-15(22)11-20-12-7-3-1-2-4-8-12/h5-6,9-10,12,20H,1-4,7-8,11H2,(H,21,22)
InChIKeyWEPFMWUOGQCWED-UHFFFAOYSA-N
XLogP3.96
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-tert-butylphenyl)-2-(cyclopropylamino)acetamide
CID 54773215
2-(cyclopropylamino)-N-[2-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 60716131
N-cyclopentyl-N'-[2-(trifluoromethyl)phenyl]oxamide
CID 45000423
cyclohexyl N-[2-(trifluoromethyl)phenyl]carbamate
CID 127539075
2-(cycloheptylamino)-N-(2,3-dimethylphenyl)acetamide
CID 109005556
2-[acetyl(cyclopentyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 113159346
2-(cyclopentylamino)-N-(2-piperidin-1-ylphenyl)acetamide
CID 43816730
[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2-(cyclohexanecarbonylamino)acetate
CID 7807697
N-cyclohexyl-4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethoxy]benzamide
CID 1182084
2-(cyclopentylamino)-N-[2-(dimethylamino)phenyl]acetamide
CID 60849441
N-cycloheptyl-2,2-dimethyl-N'-[2-(trifluoromethyl)phenyl]propanediamide
CID 108966127
2-(cyclopentylamino)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 60647058

Frequently Asked Questions

What is the IUPAC name of 2-(cycloheptylamino)-N-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(cycloheptylamino)-N-[2-(trifluoromethyl)phenyl]acetamide (CID 109005582) is 2-(cycloheptylamino)-N-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(cycloheptylamino)-N-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(cycloheptylamino)-N-[2-(trifluoromethyl)phenyl]acetamide is O=C(CNC1CCCCCC1)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 2-(cycloheptylamino)-N-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is WEPFMWUOGQCWED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N2O/c17-16(18,19)13-9-5-6-10-14(13)21-15(22)11-20-12-7-3-1-2-4-8-12/h5-6,9-10,12,20H,1-4,7-8,11H2,(H,21,22).
What are the key properties of 2-(cycloheptylamino)-N-[2-(trifluoromethyl)phenyl]acetamide?
2-(cycloheptylamino)-N-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 314.35 g/mol, XLogP of 3.96, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cycloheptylamino)-N-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 109005582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).