(E)-3-(2-chloro-6-fluorophenyl)-N-(3-morpholin-4-ylpropyl)prop-2-enamide

C16H20ClFN2O2 — CID 6087869

IUPAC(E)-3-(2-chloro-6-fluorophenyl)-N-(3-morpholin-4-ylpropyl)prop-2-enamide
SMILESO=C(/C=C/c1c(F)cccc1Cl)NCCCN1CCOCC1
InChIInChI=1S/C16H20ClFN2O2/c17-14-3-1-4-15(18)13(14)5-6-16(21)19-7-2-8-20-9-11-22-12-10-20/h1,3-6H,2,7-12H2,(H,19,21)/b6-5+
InChIKeyKXMZIPAQQGTXLZ-AATRIKPKSA-N
MW326.80 g/mol
LogP2.33
Rot. Bonds6

About (E)-3-(2-chloro-6-fluorophenyl)-N-(3-morpholin-4-ylpropyl)prop-2-enamide

(E)-3-(2-chloro-6-fluorophenyl)-N-(3-morpholin-4-ylpropyl)prop-2-enamide (PubChem CID 6087869) has the molecular formula C16H20ClFN2O2 and a molecular weight of 326.80 g/mol. Its IUPAC name is (E)-3-(2-chloro-6-fluorophenyl)-N-(3-morpholin-4-ylpropyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-chloro-6-fluorophenyl)-N-(3-morpholin-4-ylpropyl)prop-2-enamide
PubChem CID6087869
Molecular FormulaC16H20ClFN2O2
Molecular Weight326.80 g/mol
Exact Mass326.12
IUPAC Name(E)-3-(2-chloro-6-fluorophenyl)-N-(3-morpholin-4-ylpropyl)prop-2-enamide
SMILESO=C(/C=C/c1c(F)cccc1Cl)NCCCN1CCOCC1
InChIInChI=1S/C16H20ClFN2O2/c17-14-3-1-4-15(18)13(14)5-6-16(21)19-7-2-8-20-9-11-22-12-10-20/h1,3-6H,2,7-12H2,(H,19,21)/b6-5+
InChIKeyKXMZIPAQQGTXLZ-AATRIKPKSA-N
XLogP2.33
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.80
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-chloro-6-fluorophenyl)-N-(3-morpholin-4-ylpropyl)prop-2-enamide?
The IUPAC name of (E)-3-(2-chloro-6-fluorophenyl)-N-(3-morpholin-4-ylpropyl)prop-2-enamide (CID 6087869) is (E)-3-(2-chloro-6-fluorophenyl)-N-(3-morpholin-4-ylpropyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(2-chloro-6-fluorophenyl)-N-(3-morpholin-4-ylpropyl)prop-2-enamide?
The canonical SMILES for (E)-3-(2-chloro-6-fluorophenyl)-N-(3-morpholin-4-ylpropyl)prop-2-enamide is O=C(/C=C/c1c(F)cccc1Cl)NCCCN1CCOCC1.
What is the InChIKey of (E)-3-(2-chloro-6-fluorophenyl)-N-(3-morpholin-4-ylpropyl)prop-2-enamide?
The InChIKey is KXMZIPAQQGTXLZ-AATRIKPKSA-N. The full InChI is InChI=1S/C16H20ClFN2O2/c17-14-3-1-4-15(18)13(14)5-6-16(21)19-7-2-8-20-9-11-22-12-10-20/h1,3-6H,2,7-12H2,(H,19,21)/b6-5+.
What are the key properties of (E)-3-(2-chloro-6-fluorophenyl)-N-(3-morpholin-4-ylpropyl)prop-2-enamide?
(E)-3-(2-chloro-6-fluorophenyl)-N-(3-morpholin-4-ylpropyl)prop-2-enamide has a molecular weight of 326.80 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-chloro-6-fluorophenyl)-N-(3-morpholin-4-ylpropyl)prop-2-enamide is sourced from PubChem (CID 6087869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).