N-[3-(5-fluoro-2-prop-1-en-2-ylphenoxy)cyclohexyl]prop-2-enamide

C18H22FNO2 — CID 176701236

IUPACN-[3-(5-fluoro-2-prop-1-en-2-ylphenoxy)cyclohexyl]prop-2-enamide
SMILESC=CC(=O)NC1CCCC(Oc2cc(F)ccc2C(=C)C)C1
InChIInChI=1S/C18H22FNO2/c1-4-18(21)20-14-6-5-7-15(11-14)22-17-10-13(19)8-9-16(17)12(2)3/h4,8-10,14-15H,1-2,5-7,11H2,3H3,(H,20,21)
InChIKeyODBPPWBYIFFUBW-UHFFFAOYSA-N
MW303.38 g/mol
LogP3.85
Rot. Bonds5

About N-[3-(5-fluoro-2-prop-1-en-2-ylphenoxy)cyclohexyl]prop-2-enamide

N-[3-(5-fluoro-2-prop-1-en-2-ylphenoxy)cyclohexyl]prop-2-enamide (PubChem CID 176701236) has the molecular formula C18H22FNO2 and a molecular weight of 303.38 g/mol. Its IUPAC name is N-[3-(5-fluoro-2-prop-1-en-2-ylphenoxy)cyclohexyl]prop-2-enamide.

Molecular Properties

Compound NameN-[3-(5-fluoro-2-prop-1-en-2-ylphenoxy)cyclohexyl]prop-2-enamide
PubChem CID176701236
Molecular FormulaC18H22FNO2
Molecular Weight303.38 g/mol
Exact Mass303.16
IUPAC NameN-[3-(5-fluoro-2-prop-1-en-2-ylphenoxy)cyclohexyl]prop-2-enamide
SMILESC=CC(=O)NC1CCCC(Oc2cc(F)ccc2C(=C)C)C1
InChIInChI=1S/C18H22FNO2/c1-4-18(21)20-14-6-5-7-15(11-14)22-17-10-13(19)8-9-16(17)12(2)3/h4,8-10,14-15H,1-2,5-7,11H2,3H3,(H,20,21)
InChIKeyODBPPWBYIFFUBW-UHFFFAOYSA-N
XLogP3.85
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 53.85
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 N-[3-(5-fluoro-2-prop-1-en-2-ylphenoxy)cyclohexyl]prop-2-enamide?
The IUPAC name of N-[3-(5-fluoro-2-prop-1-en-2-ylphenoxy)cyclohexyl]prop-2-enamide (CID 176701236) is N-[3-(5-fluoro-2-prop-1-en-2-ylphenoxy)cyclohexyl]prop-2-enamide.
What is the SMILES notation for N-[3-(5-fluoro-2-prop-1-en-2-ylphenoxy)cyclohexyl]prop-2-enamide?
The canonical SMILES for N-[3-(5-fluoro-2-prop-1-en-2-ylphenoxy)cyclohexyl]prop-2-enamide is C=CC(=O)NC1CCCC(Oc2cc(F)ccc2C(=C)C)C1.
What is the InChIKey of N-[3-(5-fluoro-2-prop-1-en-2-ylphenoxy)cyclohexyl]prop-2-enamide?
The InChIKey is ODBPPWBYIFFUBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO2/c1-4-18(21)20-14-6-5-7-15(11-14)22-17-10-13(19)8-9-16(17)12(2)3/h4,8-10,14-15H,1-2,5-7,11H2,3H3,(H,20,21).
What are the key properties of N-[3-(5-fluoro-2-prop-1-en-2-ylphenoxy)cyclohexyl]prop-2-enamide?
N-[3-(5-fluoro-2-prop-1-en-2-ylphenoxy)cyclohexyl]prop-2-enamide has a molecular weight of 303.38 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-fluoro-2-prop-1-en-2-ylphenoxy)cyclohexyl]prop-2-enamide is sourced from PubChem (CID 176701236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).