N-(2-amino-2-oxoethyl)-3-(3-fluorophenyl)prop-2-enamide

C11H11FN2O2 — CID 78911945

IUPACN-(2-amino-2-oxoethyl)-3-(3-fluorophenyl)prop-2-enamide
SMILESNC(=O)CNC(=O)C=Cc1cccc(F)c1
InChIInChI=1S/C11H11FN2O2/c12-9-3-1-2-8(6-9)4-5-11(16)14-7-10(13)15/h1-6H,7H2,(H2,13,15)(H,14,16)
InChIKeyBWICCEWUBRFVGS-UHFFFAOYSA-N
MW222.22 g/mol
LogP0.44
Rot. Bonds4

About N-(2-amino-2-oxoethyl)-3-(3-fluorophenyl)prop-2-enamide

N-(2-amino-2-oxoethyl)-3-(3-fluorophenyl)prop-2-enamide (PubChem CID 78911945) has the molecular formula C11H11FN2O2 and a molecular weight of 222.22 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-3-(3-fluorophenyl)prop-2-enamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-3-(3-fluorophenyl)prop-2-enamide
PubChem CID78911945
Molecular FormulaC11H11FN2O2
Molecular Weight222.22 g/mol
Exact Mass222.08
IUPAC NameN-(2-amino-2-oxoethyl)-3-(3-fluorophenyl)prop-2-enamide
SMILESNC(=O)CNC(=O)C=Cc1cccc(F)c1
InChIInChI=1S/C11H11FN2O2/c12-9-3-1-2-8(6-9)4-5-11(16)14-7-10(13)15/h1-6H,7H2,(H2,13,15)(H,14,16)
InChIKeyBWICCEWUBRFVGS-UHFFFAOYSA-N
XLogP0.44
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.22
LogP ≤ 50.44
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

3-(3-fluorophenyl)-N-(3-hydroxybutyl)prop-2-enamide
CID 77037539
(E)-N-(2,2-difluoro-3-hydroxypropyl)-3-(3-fluorophenyl)prop-2-enamide
CID 104857440
(E)-3-(3-fluorophenyl)-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]prop-2-enamide
CID 108932618
N-[(2-chlorophenyl)methyl]-3-(3-fluorophenyl)prop-2-enamide
CID 4810781
3-(3-fluorophenyl)-N-(3-phenylpropyl)prop-2-enamide
CID 4810838
3-(3-fluorophenyl)-N-[(3-hydroxycyclobutyl)methyl]prop-2-enamide
CID 77111150
4-[[(E)-3-(3-fluorophenyl)prop-2-enoyl]amino]benzamide
CID 2677129
(E)-N-[4-(dimethylamino)butyl]-3-(3-fluorophenyl)prop-2-enamide
CID 84563566
3-[[[(E)-3-(3-fluorophenyl)prop-2-enoyl]amino]methyl]benzoic acid
CID 84761715
N-cyano-3-(3-fluorophenyl)prop-2-enamide
CID 79193644
(E)-3-(3-fluorophenyl)-N-phenylmethoxyprop-2-enamide
CID 32577096
(E)-3-(3-fluorophenyl)-N-[(4-methoxyphenyl)methyl]prop-2-enamide
CID 2478274

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-3-(3-fluorophenyl)prop-2-enamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-3-(3-fluorophenyl)prop-2-enamide (CID 78911945) is N-(2-amino-2-oxoethyl)-3-(3-fluorophenyl)prop-2-enamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-3-(3-fluorophenyl)prop-2-enamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-3-(3-fluorophenyl)prop-2-enamide is NC(=O)CNC(=O)C=Cc1cccc(F)c1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-3-(3-fluorophenyl)prop-2-enamide?
The InChIKey is BWICCEWUBRFVGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O2/c12-9-3-1-2-8(6-9)4-5-11(16)14-7-10(13)15/h1-6H,7H2,(H2,13,15)(H,14,16).
What are the key properties of N-(2-amino-2-oxoethyl)-3-(3-fluorophenyl)prop-2-enamide?
N-(2-amino-2-oxoethyl)-3-(3-fluorophenyl)prop-2-enamide has a molecular weight of 222.22 g/mol, XLogP of 0.44, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-3-(3-fluorophenyl)prop-2-enamide is sourced from PubChem (CID 78911945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).