[(E)-3-[4-[(2,6-difluorobenzoyl)amino]phenyl]but-2-en-2-yl] acetate

C19H17F2NO3 — CID 58992446

IUPAC[(E)-3-[4-[(2,6-difluorobenzoyl)amino]phenyl]but-2-en-2-yl] acetate
SMILESCC(=O)O/C(C)=C(\C)c1ccc(NC(=O)c2c(F)cccc2F)cc1
InChIInChI=1S/C19H17F2NO3/c1-11(12(2)25-13(3)23)14-7-9-15(10-8-14)22-19(24)18-16(20)5-4-6-17(18)21/h4-10H,1-3H3,(H,22,24)/b12-11+
InChIKeyGRJJIZYHYKJZIE-VAWYXSNFSA-N
MW345.35 g/mol
LogP4.53
Rot. Bonds4

About [(E)-3-[4-[(2,6-difluorobenzoyl)amino]phenyl]but-2-en-2-yl] acetate

[(E)-3-[4-[(2,6-difluorobenzoyl)amino]phenyl]but-2-en-2-yl] acetate (PubChem CID 58992446) has the molecular formula C19H17F2NO3 and a molecular weight of 345.35 g/mol. Its IUPAC name is [(E)-3-[4-[(2,6-difluorobenzoyl)amino]phenyl]but-2-en-2-yl] acetate.

Molecular Properties

Compound Name[(E)-3-[4-[(2,6-difluorobenzoyl)amino]phenyl]but-2-en-2-yl] acetate
PubChem CID58992446
Molecular FormulaC19H17F2NO3
Molecular Weight345.35 g/mol
Exact Mass345.12
IUPAC Name[(E)-3-[4-[(2,6-difluorobenzoyl)amino]phenyl]but-2-en-2-yl] acetate
SMILESCC(=O)O/C(C)=C(\C)c1ccc(NC(=O)c2c(F)cccc2F)cc1
InChIInChI=1S/C19H17F2NO3/c1-11(12(2)25-13(3)23)14-7-9-15(10-8-14)22-19(24)18-16(20)5-4-6-17(18)21/h4-10H,1-3H3,(H,22,24)/b12-11+
InChIKeyGRJJIZYHYKJZIE-VAWYXSNFSA-N
XLogP4.53
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.35
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze [(E)-3-[4-[(2,6-difluorobenzoyl)amino]phenyl]but-2-en-2-yl] acetate 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

2,6-difluoro-N-[4-[(E)-3-methylpent-2-en-2-yl]phenyl]benzamide
CID 58110509
N-(4-acetylphenyl)-2-fluoro-6-methoxybenzamide
CID 65434404
2,6-difluoro-N-(4-methylphenyl)benzamide;ethane
CID 143234800
N-[4-(bromomethyl)phenyl]-2,6-difluorobenzamide
CID 114310878
methyl 4-[4-[(2-chloro-6-fluorobenzoyl)amino]anilino]benzoate
CID 112988576
2,6-difluoro-N-(4-nitrophenyl)benzamide
CID 2841260
N-[4-(2-acetamidoethylcarbamoyl)phenyl]-2-chloro-6-fluorobenzamide
CID 121062127
2-fluoro-N-(4-iodophenyl)-6-methoxybenzamide
CID 65432477
2,6-difluoro-N-(3-hydroxy-4-methylphenyl)benzamide
CID 64794940
N-[4-(2,5-dichlorophenyl)phenyl]-2,6-difluorobenzamide
CID 11222663
2-bromo-6-fluoro-N-(4-methoxyphenyl)benzamide
CID 115678058
N-(3,4-diethoxyphenyl)-2,6-difluorobenzamide
CID 26212684

Frequently Asked Questions

What is the IUPAC name of [(E)-3-[4-[(2,6-difluorobenzoyl)amino]phenyl]but-2-en-2-yl] acetate?
The IUPAC name of [(E)-3-[4-[(2,6-difluorobenzoyl)amino]phenyl]but-2-en-2-yl] acetate (CID 58992446) is [(E)-3-[4-[(2,6-difluorobenzoyl)amino]phenyl]but-2-en-2-yl] acetate.
What is the SMILES notation for [(E)-3-[4-[(2,6-difluorobenzoyl)amino]phenyl]but-2-en-2-yl] acetate?
The canonical SMILES for [(E)-3-[4-[(2,6-difluorobenzoyl)amino]phenyl]but-2-en-2-yl] acetate is CC(=O)O/C(C)=C(\C)c1ccc(NC(=O)c2c(F)cccc2F)cc1.
What is the InChIKey of [(E)-3-[4-[(2,6-difluorobenzoyl)amino]phenyl]but-2-en-2-yl] acetate?
The InChIKey is GRJJIZYHYKJZIE-VAWYXSNFSA-N. The full InChI is InChI=1S/C19H17F2NO3/c1-11(12(2)25-13(3)23)14-7-9-15(10-8-14)22-19(24)18-16(20)5-4-6-17(18)21/h4-10H,1-3H3,(H,22,24)/b12-11+.
What are the key properties of [(E)-3-[4-[(2,6-difluorobenzoyl)amino]phenyl]but-2-en-2-yl] acetate?
[(E)-3-[4-[(2,6-difluorobenzoyl)amino]phenyl]but-2-en-2-yl] acetate has a molecular weight of 345.35 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-[4-[(2,6-difluorobenzoyl)amino]phenyl]but-2-en-2-yl] acetate is sourced from PubChem (CID 58992446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).