N-[3-(azepan-1-yl)-3-oxopropyl]-N-[3-(trifluoromethyl)phenyl]acetamide

C18H23F3N2O2 — CID 113130461

IUPACN-[3-(azepan-1-yl)-3-oxopropyl]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCC(=O)N(CCC(=O)N1CCCCCC1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H23F3N2O2/c1-14(24)23(16-8-6-7-15(13-16)18(19,20)21)12-9-17(25)22-10-4-2-3-5-11-22/h6-8,13H,2-5,9-12H2,1H3
InChIKeyBQIYTGGXEZYHPS-UHFFFAOYSA-N
MW356.39 g/mol
LogP3.85
Rot. Bonds4

About N-[3-(azepan-1-yl)-3-oxopropyl]-N-[3-(trifluoromethyl)phenyl]acetamide

N-[3-(azepan-1-yl)-3-oxopropyl]-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 113130461) has the molecular formula C18H23F3N2O2 and a molecular weight of 356.39 g/mol. Its IUPAC name is N-[3-(azepan-1-yl)-3-oxopropyl]-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-(azepan-1-yl)-3-oxopropyl]-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID113130461
Molecular FormulaC18H23F3N2O2
Molecular Weight356.39 g/mol
Exact Mass356.17
IUPAC NameN-[3-(azepan-1-yl)-3-oxopropyl]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCC(=O)N(CCC(=O)N1CCCCCC1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H23F3N2O2/c1-14(24)23(16-8-6-7-15(13-16)18(19,20)21)12-9-17(25)22-10-4-2-3-5-11-22/h6-8,13H,2-5,9-12H2,1H3
InChIKeyBQIYTGGXEZYHPS-UHFFFAOYSA-N
XLogP3.85
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 113130411
N-(3-fluorophenyl)-N-(3-oxo-3-piperidin-1-ylpropyl)acetamide
CID 113132342
N-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-[3-(trifluoromethyl)phenyl]methanesulfonamide
CID 113145245
N-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-phenylacetamide
CID 113123338
N-[3-(azepan-1-yl)-3-oxopropyl]-N-(2,6-difluorophenyl)acetamide
CID 113135398
N-(4-oxo-4-pyrrolidin-1-ylbutyl)-N-[3-(trifluoromethyl)phenyl]methanesulfonamide
CID 53278261
N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 113175111
N-(4-acetylphenyl)-N-[3-(azepan-1-yl)-3-oxopropyl]acetamide
CID 113130850
N-(4-methylphenyl)-N-(3-oxo-3-piperidin-1-ylpropyl)-3-(trifluoromethyl)benzenesulfonamide
CID 112759316
N-(2,6-dimethylphenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide
CID 113124813
N-(3-fluorophenyl)-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide
CID 113132344
3-[N-acetyl-3-(trifluoromethyl)anilino]-N-prop-2-enylpropanamide
CID 113130407

Frequently Asked Questions

What is the IUPAC name of N-[3-(azepan-1-yl)-3-oxopropyl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[3-(azepan-1-yl)-3-oxopropyl]-N-[3-(trifluoromethyl)phenyl]acetamide (CID 113130461) is N-[3-(azepan-1-yl)-3-oxopropyl]-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[3-(azepan-1-yl)-3-oxopropyl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[3-(azepan-1-yl)-3-oxopropyl]-N-[3-(trifluoromethyl)phenyl]acetamide is CC(=O)N(CCC(=O)N1CCCCCC1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[3-(azepan-1-yl)-3-oxopropyl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is BQIYTGGXEZYHPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F3N2O2/c1-14(24)23(16-8-6-7-15(13-16)18(19,20)21)12-9-17(25)22-10-4-2-3-5-11-22/h6-8,13H,2-5,9-12H2,1H3.
What are the key properties of N-[3-(azepan-1-yl)-3-oxopropyl]-N-[3-(trifluoromethyl)phenyl]acetamide?
N-[3-(azepan-1-yl)-3-oxopropyl]-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 356.39 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(azepan-1-yl)-3-oxopropyl]-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 113130461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).