N-[(E)-4-aminobut-2-enyl]-2-(2,3-difluorophenyl)acetamide

C12H14F2N2O — CID 113414811

IUPACN-[(E)-4-aminobut-2-enyl]-2-(2,3-difluorophenyl)acetamide
SMILESNC/C=C/CNC(=O)Cc1cccc(F)c1F
InChIInChI=1S/C12H14F2N2O/c13-10-5-3-4-9(12(10)14)8-11(17)16-7-2-1-6-15/h1-5H,6-8,15H2,(H,16,17)/b2-1+
InChIKeyYRSDLPJBFJNCDA-OWOJBTEDSA-N
MW240.25 g/mol
LogP1.14
Rot. Bonds5

About N-[(E)-4-aminobut-2-enyl]-2-(2,3-difluorophenyl)acetamide

N-[(E)-4-aminobut-2-enyl]-2-(2,3-difluorophenyl)acetamide (PubChem CID 113414811) has the molecular formula C12H14F2N2O and a molecular weight of 240.25 g/mol. Its IUPAC name is N-[(E)-4-aminobut-2-enyl]-2-(2,3-difluorophenyl)acetamide.

Molecular Properties

Compound NameN-[(E)-4-aminobut-2-enyl]-2-(2,3-difluorophenyl)acetamide
PubChem CID113414811
Molecular FormulaC12H14F2N2O
Molecular Weight240.25 g/mol
Exact Mass240.11
IUPAC NameN-[(E)-4-aminobut-2-enyl]-2-(2,3-difluorophenyl)acetamide
SMILESNC/C=C/CNC(=O)Cc1cccc(F)c1F
InChIInChI=1S/C12H14F2N2O/c13-10-5-3-4-9(12(10)14)8-11(17)16-7-2-1-6-15/h1-5H,6-8,15H2,(H,16,17)/b2-1+
InChIKeyYRSDLPJBFJNCDA-OWOJBTEDSA-N
XLogP1.14
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[(2,3-difluorophenyl)methyl]acetamide
CID 82670923
2-(2,3-difluorophenyl)-N-[(2-hydroxyphenyl)methyl]acetamide
CID 115687726
N-(2-bromoprop-2-enyl)-2-(2,3-difluorophenyl)acetamide
CID 115686682
N-[[3-(bromomethyl)phenyl]methyl]-2-(2,3-difluorophenyl)acetamide
CID 114313198
4-amino-1-(2,3-difluorophenyl)butan-2-one
CID 116550836
N-[2-(aminomethyl)cyclopentyl]-2-(2,3-difluorophenyl)acetamide;hydrochloride
CID 119604124
2-(2,3-difluorophenyl)-N-[2-(2-methoxyethylamino)ethyl]acetamide
CID 82994529
N-(6-chlorohexyl)-2-(2,3-difluorophenyl)acetamide
CID 107846727
N-(4-amino-3-bromophenyl)-2-(2,3-difluorophenyl)acetamide
CID 82862460
2-(2,3-difluorophenyl)-N-[2-methyl-3-(methylamino)propyl]acetamide
CID 81486845
2-(2,3-difluorophenyl)acetic acid;hydrochloride
CID 172702403
2-[1-[[[2-(2,3-difluorophenyl)acetyl]amino]methyl]cyclobutyl]acetic acid
CID 81163884

Frequently Asked Questions

What is the IUPAC name of N-[(E)-4-aminobut-2-enyl]-2-(2,3-difluorophenyl)acetamide?
The IUPAC name of N-[(E)-4-aminobut-2-enyl]-2-(2,3-difluorophenyl)acetamide (CID 113414811) is N-[(E)-4-aminobut-2-enyl]-2-(2,3-difluorophenyl)acetamide.
What is the SMILES notation for N-[(E)-4-aminobut-2-enyl]-2-(2,3-difluorophenyl)acetamide?
The canonical SMILES for N-[(E)-4-aminobut-2-enyl]-2-(2,3-difluorophenyl)acetamide is NC/C=C/CNC(=O)Cc1cccc(F)c1F.
What is the InChIKey of N-[(E)-4-aminobut-2-enyl]-2-(2,3-difluorophenyl)acetamide?
The InChIKey is YRSDLPJBFJNCDA-OWOJBTEDSA-N. The full InChI is InChI=1S/C12H14F2N2O/c13-10-5-3-4-9(12(10)14)8-11(17)16-7-2-1-6-15/h1-5H,6-8,15H2,(H,16,17)/b2-1+.
What are the key properties of N-[(E)-4-aminobut-2-enyl]-2-(2,3-difluorophenyl)acetamide?
N-[(E)-4-aminobut-2-enyl]-2-(2,3-difluorophenyl)acetamide has a molecular weight of 240.25 g/mol, XLogP of 1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-4-aminobut-2-enyl]-2-(2,3-difluorophenyl)acetamide is sourced from PubChem (CID 113414811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).