(E)-3-(4-fluorophenyl)-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]prop-2-enamide

C15H19FN2O — CID 104972055

IUPAC(E)-3-(4-fluorophenyl)-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(F)cc1)NCC[C@H]1CCCN1
InChIInChI=1S/C15H19FN2O/c16-13-6-3-12(4-7-13)5-8-15(19)18-11-9-14-2-1-10-17-14/h3-8,14,17H,1-2,9-11H2,(H,18,19)/b8-5+/t14-/m1/s1
InChIKeyOLKKMTKBXJFUJV-LHRNQBEKSA-N
MW262.33 g/mol
LogP2.10
Rot. Bonds5

About (E)-3-(4-fluorophenyl)-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]prop-2-enamide

(E)-3-(4-fluorophenyl)-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]prop-2-enamide (PubChem CID 104972055) has the molecular formula C15H19FN2O and a molecular weight of 262.33 g/mol. Its IUPAC name is (E)-3-(4-fluorophenyl)-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-fluorophenyl)-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]prop-2-enamide
PubChem CID104972055
Molecular FormulaC15H19FN2O
Molecular Weight262.33 g/mol
Exact Mass262.15
IUPAC Name(E)-3-(4-fluorophenyl)-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(F)cc1)NCC[C@H]1CCCN1
InChIInChI=1S/C15H19FN2O/c16-13-6-3-12(4-7-13)5-8-15(19)18-11-9-14-2-1-10-17-14/h3-8,14,17H,1-2,9-11H2,(H,18,19)/b8-5+/t14-/m1/s1
InChIKeyOLKKMTKBXJFUJV-LHRNQBEKSA-N
XLogP2.10
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.10
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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Related Compounds

(E)-3-(4-methoxyphenyl)-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]prop-2-enamide
CID 104955250
(E)-3-(4-nitrophenyl)-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]prop-2-enamide
CID 104971706
3-(4-fluorophenyl)-N-(piperidin-2-ylmethyl)prop-2-enamide
CID 76922751
(E)-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-3-thiophen-2-ylprop-2-enamide
CID 104971901
3-(4-chlorophenyl)-N-(pyrrolidin-2-ylmethyl)prop-2-enamide
CID 76946339
(E)-N-[2-(cyclopropylamino)ethyl]-3-(4-fluorophenyl)prop-2-enamide
CID 55100390
2-(4-fluorophenyl)-N-(2-piperidin-2-ylethyl)acetamide
CID 24704522
3-(4-fluorophenyl)-N-[8-[3-(4-fluorophenyl)prop-2-enoylamino]octyl]prop-2-enamide
CID 5142775
(E)-3-(4-fluorophenyl)-N-(2-piperazin-1-ylethyl)prop-2-enamide
CID 43600198
(E)-N-(2-cyclohexylsulfanylethyl)-3-(4-fluorophenyl)prop-2-enamide
CID 2176425
5-fluoro-2-methyl-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 114793819
2,6-difluoro-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 114793746

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-fluorophenyl)-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]prop-2-enamide?
The IUPAC name of (E)-3-(4-fluorophenyl)-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]prop-2-enamide (CID 104972055) is (E)-3-(4-fluorophenyl)-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(4-fluorophenyl)-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]prop-2-enamide?
The canonical SMILES for (E)-3-(4-fluorophenyl)-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]prop-2-enamide is O=C(/C=C/c1ccc(F)cc1)NCC[C@H]1CCCN1.
What is the InChIKey of (E)-3-(4-fluorophenyl)-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]prop-2-enamide?
The InChIKey is OLKKMTKBXJFUJV-LHRNQBEKSA-N. The full InChI is InChI=1S/C15H19FN2O/c16-13-6-3-12(4-7-13)5-8-15(19)18-11-9-14-2-1-10-17-14/h3-8,14,17H,1-2,9-11H2,(H,18,19)/b8-5+/t14-/m1/s1.
What are the key properties of (E)-3-(4-fluorophenyl)-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]prop-2-enamide?
(E)-3-(4-fluorophenyl)-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]prop-2-enamide has a molecular weight of 262.33 g/mol, XLogP of 2.10, 5 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-[2-[(2R)-pyrrolidin-2-yl]ethyl]prop-2-enamide is sourced from PubChem (CID 104972055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).