(E)-N-(2-amino-2-oxoethyl)-N-cyclopentyl-3-(2-fluorophenyl)but-2-enamide

C17H21FN2O2 — CID 94649821

IUPAC(E)-N-(2-amino-2-oxoethyl)-N-cyclopentyl-3-(2-fluorophenyl)but-2-enamide
SMILESC/C(=C\C(=O)N(CC(N)=O)C1CCCC1)c1ccccc1F
InChIInChI=1S/C17H21FN2O2/c1-12(14-8-4-5-9-15(14)18)10-17(22)20(11-16(19)21)13-6-2-3-7-13/h4-5,8-10,13H,2-3,6-7,11H2,1H3,(H2,19,21)/b12-10+
InChIKeyCSQGEBAQDZCWSV-ZRDIBKRKSA-N
MW304.36 g/mol
LogP2.49
Rot. Bonds5

About (E)-N-(2-amino-2-oxoethyl)-N-cyclopentyl-3-(2-fluorophenyl)but-2-enamide

(E)-N-(2-amino-2-oxoethyl)-N-cyclopentyl-3-(2-fluorophenyl)but-2-enamide (PubChem CID 94649821) has the molecular formula C17H21FN2O2 and a molecular weight of 304.36 g/mol. Its IUPAC name is (E)-N-(2-amino-2-oxoethyl)-N-cyclopentyl-3-(2-fluorophenyl)but-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-amino-2-oxoethyl)-N-cyclopentyl-3-(2-fluorophenyl)but-2-enamide
PubChem CID94649821
Molecular FormulaC17H21FN2O2
Molecular Weight304.36 g/mol
Exact Mass304.16
IUPAC Name(E)-N-(2-amino-2-oxoethyl)-N-cyclopentyl-3-(2-fluorophenyl)but-2-enamide
SMILESC/C(=C\C(=O)N(CC(N)=O)C1CCCC1)c1ccccc1F
InChIInChI=1S/C17H21FN2O2/c1-12(14-8-4-5-9-15(14)18)10-17(22)20(11-16(19)21)13-6-2-3-7-13/h4-5,8-10,13H,2-3,6-7,11H2,1H3,(H2,19,21)/b12-10+
InChIKeyCSQGEBAQDZCWSV-ZRDIBKRKSA-N
XLogP2.49
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.36
LogP ≤ 52.49
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 (E)-N-(2-amino-2-oxoethyl)-N-cyclopentyl-3-(2-fluorophenyl)but-2-enamide?
The IUPAC name of (E)-N-(2-amino-2-oxoethyl)-N-cyclopentyl-3-(2-fluorophenyl)but-2-enamide (CID 94649821) is (E)-N-(2-amino-2-oxoethyl)-N-cyclopentyl-3-(2-fluorophenyl)but-2-enamide.
What is the SMILES notation for (E)-N-(2-amino-2-oxoethyl)-N-cyclopentyl-3-(2-fluorophenyl)but-2-enamide?
The canonical SMILES for (E)-N-(2-amino-2-oxoethyl)-N-cyclopentyl-3-(2-fluorophenyl)but-2-enamide is C/C(=C\C(=O)N(CC(N)=O)C1CCCC1)c1ccccc1F.
What is the InChIKey of (E)-N-(2-amino-2-oxoethyl)-N-cyclopentyl-3-(2-fluorophenyl)but-2-enamide?
The InChIKey is CSQGEBAQDZCWSV-ZRDIBKRKSA-N. The full InChI is InChI=1S/C17H21FN2O2/c1-12(14-8-4-5-9-15(14)18)10-17(22)20(11-16(19)21)13-6-2-3-7-13/h4-5,8-10,13H,2-3,6-7,11H2,1H3,(H2,19,21)/b12-10+.
What are the key properties of (E)-N-(2-amino-2-oxoethyl)-N-cyclopentyl-3-(2-fluorophenyl)but-2-enamide?
(E)-N-(2-amino-2-oxoethyl)-N-cyclopentyl-3-(2-fluorophenyl)but-2-enamide has a molecular weight of 304.36 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-amino-2-oxoethyl)-N-cyclopentyl-3-(2-fluorophenyl)but-2-enamide is sourced from PubChem (CID 94649821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).