N-[1-(2-fluorophenyl)ethyl]-N-methylbut-2-enamide

C13H16FNO — CID 112725705

IUPACN-[1-(2-fluorophenyl)ethyl]-N-methylbut-2-enamide
SMILESCC=CC(=O)N(C)C(C)c1ccccc1F
InChIInChI=1S/C13H16FNO/c1-4-7-13(16)15(3)10(2)11-8-5-6-9-12(11)14/h4-10H,1-3H3
InChIKeyUGLHHRJRVNDIOB-UHFFFAOYSA-N
MW221.28 g/mol
LogP2.92
Rot. Bonds3

About N-[1-(2-fluorophenyl)ethyl]-N-methylbut-2-enamide

N-[1-(2-fluorophenyl)ethyl]-N-methylbut-2-enamide (PubChem CID 112725705) has the molecular formula C13H16FNO and a molecular weight of 221.28 g/mol. Its IUPAC name is N-[1-(2-fluorophenyl)ethyl]-N-methylbut-2-enamide.

Molecular Properties

Compound NameN-[1-(2-fluorophenyl)ethyl]-N-methylbut-2-enamide
PubChem CID112725705
Molecular FormulaC13H16FNO
Molecular Weight221.28 g/mol
Exact Mass221.12
IUPAC NameN-[1-(2-fluorophenyl)ethyl]-N-methylbut-2-enamide
SMILESCC=CC(=O)N(C)C(C)c1ccccc1F
InChIInChI=1S/C13H16FNO/c1-4-7-13(16)15(3)10(2)11-8-5-6-9-12(11)14/h4-10H,1-3H3
InChIKeyUGLHHRJRVNDIOB-UHFFFAOYSA-N
XLogP2.92
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[1-(2-fluorophenyl)ethyl]-N-methylbut-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(2-fluorophenyl)ethyl]-N-methyl-2-(methylamino)acetamide
CID 60939648
(2S)-2-[[1-(2-fluorophenyl)ethyl-methylcarbamoyl]amino]-3-methylbutanoic acid
CID 62985653
N-[1-(2-fluorophenyl)ethyl]-N-methylpiperidine-1-carboxamide
CID 115589121
N-[1-(2-fluorophenyl)ethyl]-N-methylazepane-1-carboxamide
CID 116655796
N-[1-(2-fluorophenyl)ethyl]-4-hydroxy-N-methylpentanamide
CID 79200476
3-amino-N-[1-(2-fluorophenyl)ethyl]-N,2-dimethyl-3-phenylpropanamide;hydrochloride
CID 119710675
N-methyl-N-[1-(4-methylphenyl)ethyl]but-2-enamide
CID 112725740
2,6-difluoro-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide
CID 61043567
3,5-dibromo-N-[1-(2-fluorophenyl)ethyl]-N-methylbenzamide
CID 107980294
2-amino-N-[1-(2-fluorophenyl)ethyl]-N,4-dimethylpentanamide
CID 54870454
N-[1-(2-fluorophenyl)ethyl]-N,2-dimethyl-5-sulfanylbenzamide
CID 107029072
2-[1-(2-fluorophenyl)ethyl-methylamino]acetic acid
CID 62979540

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluorophenyl)ethyl]-N-methylbut-2-enamide?
The IUPAC name of N-[1-(2-fluorophenyl)ethyl]-N-methylbut-2-enamide (CID 112725705) is N-[1-(2-fluorophenyl)ethyl]-N-methylbut-2-enamide.
What is the SMILES notation for N-[1-(2-fluorophenyl)ethyl]-N-methylbut-2-enamide?
The canonical SMILES for N-[1-(2-fluorophenyl)ethyl]-N-methylbut-2-enamide is CC=CC(=O)N(C)C(C)c1ccccc1F.
What is the InChIKey of N-[1-(2-fluorophenyl)ethyl]-N-methylbut-2-enamide?
The InChIKey is UGLHHRJRVNDIOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO/c1-4-7-13(16)15(3)10(2)11-8-5-6-9-12(11)14/h4-10H,1-3H3.
What are the key properties of N-[1-(2-fluorophenyl)ethyl]-N-methylbut-2-enamide?
N-[1-(2-fluorophenyl)ethyl]-N-methylbut-2-enamide has a molecular weight of 221.28 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluorophenyl)ethyl]-N-methylbut-2-enamide is sourced from PubChem (CID 112725705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).