2-cyclopentylidene-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]acetamide

C17H20F3NO2 — CID 47062033

IUPAC2-cyclopentylidene-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]acetamide
SMILESO=C(C=C1CCCC1)NCc1ccc(COCC(F)(F)F)cc1
InChIInChI=1S/C17H20F3NO2/c18-17(19,20)12-23-11-15-7-5-14(6-8-15)10-21-16(22)9-13-3-1-2-4-13/h5-9H,1-4,10-12H2,(H,21,22)
InChIKeyBEINUKBKIGMRIA-UHFFFAOYSA-N
MW327.35 g/mol
LogP3.88
Rot. Bonds6

About 2-cyclopentylidene-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]acetamide

2-cyclopentylidene-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]acetamide (PubChem CID 47062033) has the molecular formula C17H20F3NO2 and a molecular weight of 327.35 g/mol. Its IUPAC name is 2-cyclopentylidene-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-cyclopentylidene-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]acetamide
PubChem CID47062033
Molecular FormulaC17H20F3NO2
Molecular Weight327.35 g/mol
Exact Mass327.14
IUPAC Name2-cyclopentylidene-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]acetamide
SMILESO=C(C=C1CCCC1)NCc1ccc(COCC(F)(F)F)cc1
InChIInChI=1S/C17H20F3NO2/c18-17(19,20)12-23-11-15-7-5-14(6-8-15)10-21-16(22)9-13-3-1-2-4-13/h5-9H,1-4,10-12H2,(H,21,22)
InChIKeyBEINUKBKIGMRIA-UHFFFAOYSA-N
XLogP3.88
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.35
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylidene-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-cyclopentylidene-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]acetamide (CID 47062033) is 2-cyclopentylidene-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-cyclopentylidene-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-cyclopentylidene-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]acetamide is O=C(C=C1CCCC1)NCc1ccc(COCC(F)(F)F)cc1.
What is the InChIKey of 2-cyclopentylidene-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]acetamide?
The InChIKey is BEINUKBKIGMRIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3NO2/c18-17(19,20)12-23-11-15-7-5-14(6-8-15)10-21-16(22)9-13-3-1-2-4-13/h5-9H,1-4,10-12H2,(H,21,22).
What are the key properties of 2-cyclopentylidene-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]acetamide?
2-cyclopentylidene-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]acetamide has a molecular weight of 327.35 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylidene-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 47062033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).