2-[2-(4-fluorophenyl)ethylamino]-N-prop-2-enylacetamide

C13H17FN2O — CID 108992943

IUPAC2-[2-(4-fluorophenyl)ethylamino]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CNCCc1ccc(F)cc1
InChIInChI=1S/C13H17FN2O/c1-2-8-16-13(17)10-15-9-7-11-3-5-12(14)6-4-11/h2-6,15H,1,7-10H2,(H,16,17)
InChIKeyHICBKUXZIMSZSK-UHFFFAOYSA-N
MW236.29 g/mol
LogP1.26
Rot. Bonds7

About 2-[2-(4-fluorophenyl)ethylamino]-N-prop-2-enylacetamide

2-[2-(4-fluorophenyl)ethylamino]-N-prop-2-enylacetamide (PubChem CID 108992943) has the molecular formula C13H17FN2O and a molecular weight of 236.29 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)ethylamino]-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)ethylamino]-N-prop-2-enylacetamide
PubChem CID108992943
Molecular FormulaC13H17FN2O
Molecular Weight236.29 g/mol
Exact Mass236.13
IUPAC Name2-[2-(4-fluorophenyl)ethylamino]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CNCCc1ccc(F)cc1
InChIInChI=1S/C13H17FN2O/c1-2-8-16-13(17)10-15-9-7-11-3-5-12(14)6-4-11/h2-6,15H,1,7-10H2,(H,16,17)
InChIKeyHICBKUXZIMSZSK-UHFFFAOYSA-N
XLogP1.26
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-fluorophenyl)methyl]-2-(2-phenylethylamino)acetamide
CID 108997842
N-[3-(dimethylamino)propyl]-2-[2-(4-fluorophenyl)ethylamino]acetamide
CID 108995212
N-[2-(4-fluorophenyl)ethyl]-2-(propylamino)acetamide
CID 60648420
1-[2-(4-fluorophenyl)ethyl]-3-prop-2-enylthiourea
CID 4158579
4-[2-[[2-(prop-2-enylamino)acetyl]amino]ethyl]benzoic acid
CID 79278512
2-[(4-bromophenyl)methylamino]-N-prop-2-enylacetamide
CID 115919828
[2-(4-fluorophenyl)ethylamino]methanol
CID 69360802
2-[2-(4-fluorophenyl)ethylamino]-N-(4-propan-2-ylphenyl)acetamide
CID 109000448
2-(benzylamino)-N-prop-2-enylacetamide
CID 11160015
N-[2-(4-fluorophenyl)ethyl]-2-[2-oxo-2-(prop-2-enylamino)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 55738887
N-prop-2-enyl-2-(propylamino)acetamide
CID 54819030
4-[2-(4-fluorophenyl)ethylsulfamoyl]-N-prop-2-enylbenzamide
CID 109058444

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)ethylamino]-N-prop-2-enylacetamide?
The IUPAC name of 2-[2-(4-fluorophenyl)ethylamino]-N-prop-2-enylacetamide (CID 108992943) is 2-[2-(4-fluorophenyl)ethylamino]-N-prop-2-enylacetamide.
What is the SMILES notation for 2-[2-(4-fluorophenyl)ethylamino]-N-prop-2-enylacetamide?
The canonical SMILES for 2-[2-(4-fluorophenyl)ethylamino]-N-prop-2-enylacetamide is C=CCNC(=O)CNCCc1ccc(F)cc1.
What is the InChIKey of 2-[2-(4-fluorophenyl)ethylamino]-N-prop-2-enylacetamide?
The InChIKey is HICBKUXZIMSZSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O/c1-2-8-16-13(17)10-15-9-7-11-3-5-12(14)6-4-11/h2-6,15H,1,7-10H2,(H,16,17).
What are the key properties of 2-[2-(4-fluorophenyl)ethylamino]-N-prop-2-enylacetamide?
2-[2-(4-fluorophenyl)ethylamino]-N-prop-2-enylacetamide has a molecular weight of 236.29 g/mol, XLogP of 1.26, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)ethylamino]-N-prop-2-enylacetamide is sourced from PubChem (CID 108992943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).