(E)-3-(4-fluorophenyl)-N-[3-(hydroxymethyl)pentan-3-yl]prop-2-enamide

C15H20FNO2 — CID 55082301

IUPAC(E)-3-(4-fluorophenyl)-N-[3-(hydroxymethyl)pentan-3-yl]prop-2-enamide
SMILESCCC(CC)(CO)NC(=O)/C=C/c1ccc(F)cc1
InChIInChI=1S/C15H20FNO2/c1-3-15(4-2,11-18)17-14(19)10-7-12-5-8-13(16)9-6-12/h5-10,18H,3-4,11H2,1-2H3,(H,17,19)/b10-7+
InChIKeyBYTYTIRDJGTVAT-JXMROGBWSA-N
MW265.33 g/mol
LogP2.51
Rot. Bonds6

About (E)-3-(4-fluorophenyl)-N-[3-(hydroxymethyl)pentan-3-yl]prop-2-enamide

(E)-3-(4-fluorophenyl)-N-[3-(hydroxymethyl)pentan-3-yl]prop-2-enamide (PubChem CID 55082301) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is (E)-3-(4-fluorophenyl)-N-[3-(hydroxymethyl)pentan-3-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-fluorophenyl)-N-[3-(hydroxymethyl)pentan-3-yl]prop-2-enamide
PubChem CID55082301
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC Name(E)-3-(4-fluorophenyl)-N-[3-(hydroxymethyl)pentan-3-yl]prop-2-enamide
SMILESCCC(CC)(CO)NC(=O)/C=C/c1ccc(F)cc1
InChIInChI=1S/C15H20FNO2/c1-3-15(4-2,11-18)17-14(19)10-7-12-5-8-13(16)9-6-12/h5-10,18H,3-4,11H2,1-2H3,(H,17,19)/b10-7+
InChIKeyBYTYTIRDJGTVAT-JXMROGBWSA-N
XLogP2.51
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 52.51
H-Bond Donors ≤ 52
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 (E)-3-(4-fluorophenyl)-N-[3-(hydroxymethyl)pentan-3-yl]prop-2-enamide?
The IUPAC name of (E)-3-(4-fluorophenyl)-N-[3-(hydroxymethyl)pentan-3-yl]prop-2-enamide (CID 55082301) is (E)-3-(4-fluorophenyl)-N-[3-(hydroxymethyl)pentan-3-yl]prop-2-enamide.
What is the SMILES notation for (E)-3-(4-fluorophenyl)-N-[3-(hydroxymethyl)pentan-3-yl]prop-2-enamide?
The canonical SMILES for (E)-3-(4-fluorophenyl)-N-[3-(hydroxymethyl)pentan-3-yl]prop-2-enamide is CCC(CC)(CO)NC(=O)/C=C/c1ccc(F)cc1.
What is the InChIKey of (E)-3-(4-fluorophenyl)-N-[3-(hydroxymethyl)pentan-3-yl]prop-2-enamide?
The InChIKey is BYTYTIRDJGTVAT-JXMROGBWSA-N. The full InChI is InChI=1S/C15H20FNO2/c1-3-15(4-2,11-18)17-14(19)10-7-12-5-8-13(16)9-6-12/h5-10,18H,3-4,11H2,1-2H3,(H,17,19)/b10-7+.
What are the key properties of (E)-3-(4-fluorophenyl)-N-[3-(hydroxymethyl)pentan-3-yl]prop-2-enamide?
(E)-3-(4-fluorophenyl)-N-[3-(hydroxymethyl)pentan-3-yl]prop-2-enamide has a molecular weight of 265.33 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-fluorophenyl)-N-[3-(hydroxymethyl)pentan-3-yl]prop-2-enamide is sourced from PubChem (CID 55082301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).