(E)-N-[2-(ethylamino)ethyl]-3-(4-fluorophenyl)-2-methylprop-2-enamide;hydrochloride

C14H20ClFN2O — CID 84591079

IUPAC(E)-N-[2-(ethylamino)ethyl]-3-(4-fluorophenyl)-2-methylprop-2-enamide;hydrochloride
SMILESCCNCCNC(=O)/C(C)=C/c1ccc(F)cc1.Cl
InChIInChI=1S/C14H19FN2O.ClH/c1-3-16-8-9-17-14(18)11(2)10-12-4-6-13(15)7-5-12;/h4-7,10,16H,3,8-9H2,1-2H3,(H,17,18);1H/b11-10+;
InChIKeyRRRXREZMJQEZSQ-ASTDGNLGSA-N
MW286.78 g/mol
LogP2.38
Rot. Bonds6

About (E)-N-[2-(ethylamino)ethyl]-3-(4-fluorophenyl)-2-methylprop-2-enamide;hydrochloride

(E)-N-[2-(ethylamino)ethyl]-3-(4-fluorophenyl)-2-methylprop-2-enamide;hydrochloride (PubChem CID 84591079) has the molecular formula C14H20ClFN2O and a molecular weight of 286.78 g/mol. Its IUPAC name is (E)-N-[2-(ethylamino)ethyl]-3-(4-fluorophenyl)-2-methylprop-2-enamide;hydrochloride.

Molecular Properties

Compound Name(E)-N-[2-(ethylamino)ethyl]-3-(4-fluorophenyl)-2-methylprop-2-enamide;hydrochloride
PubChem CID84591079
Molecular FormulaC14H20ClFN2O
Molecular Weight286.78 g/mol
Exact Mass286.12
IUPAC Name(E)-N-[2-(ethylamino)ethyl]-3-(4-fluorophenyl)-2-methylprop-2-enamide;hydrochloride
SMILESCCNCCNC(=O)/C(C)=C/c1ccc(F)cc1.Cl
InChIInChI=1S/C14H19FN2O.ClH/c1-3-16-8-9-17-14(18)11(2)10-12-4-6-13(15)7-5-12;/h4-7,10,16H,3,8-9H2,1-2H3,(H,17,18);1H/b11-10+;
InChIKeyRRRXREZMJQEZSQ-ASTDGNLGSA-N
XLogP2.38
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.78
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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)-N-[2-(ethylamino)ethyl]-3-(4-fluorophenyl)-2-methylprop-2-enamide;hydrochloride?
The IUPAC name of (E)-N-[2-(ethylamino)ethyl]-3-(4-fluorophenyl)-2-methylprop-2-enamide;hydrochloride (CID 84591079) is (E)-N-[2-(ethylamino)ethyl]-3-(4-fluorophenyl)-2-methylprop-2-enamide;hydrochloride.
What is the SMILES notation for (E)-N-[2-(ethylamino)ethyl]-3-(4-fluorophenyl)-2-methylprop-2-enamide;hydrochloride?
The canonical SMILES for (E)-N-[2-(ethylamino)ethyl]-3-(4-fluorophenyl)-2-methylprop-2-enamide;hydrochloride is CCNCCNC(=O)/C(C)=C/c1ccc(F)cc1.Cl.
What is the InChIKey of (E)-N-[2-(ethylamino)ethyl]-3-(4-fluorophenyl)-2-methylprop-2-enamide;hydrochloride?
The InChIKey is RRRXREZMJQEZSQ-ASTDGNLGSA-N. The full InChI is InChI=1S/C14H19FN2O.ClH/c1-3-16-8-9-17-14(18)11(2)10-12-4-6-13(15)7-5-12;/h4-7,10,16H,3,8-9H2,1-2H3,(H,17,18);1H/b11-10+;.
What are the key properties of (E)-N-[2-(ethylamino)ethyl]-3-(4-fluorophenyl)-2-methylprop-2-enamide;hydrochloride?
(E)-N-[2-(ethylamino)ethyl]-3-(4-fluorophenyl)-2-methylprop-2-enamide;hydrochloride has a molecular weight of 286.78 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(ethylamino)ethyl]-3-(4-fluorophenyl)-2-methylprop-2-enamide;hydrochloride is sourced from PubChem (CID 84591079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).