N-[3-(5-acetyl-2-fluorophenyl)prop-2-enyl]acetamide

C13H14FNO2 — CID 169465750

IUPACN-[3-(5-acetyl-2-fluorophenyl)prop-2-enyl]acetamide
SMILESCC(=O)NCC=Cc1cc(C(C)=O)ccc1F
InChIInChI=1S/C13H14FNO2/c1-9(16)11-5-6-13(14)12(8-11)4-3-7-15-10(2)17/h3-6,8H,7H2,1-2H3,(H,15,17)
InChIKeyYJJRJQKHVWVTJG-UHFFFAOYSA-N
MW235.26 g/mol
LogP2.18
Rot. Bonds4

About N-[3-(5-acetyl-2-fluorophenyl)prop-2-enyl]acetamide

N-[3-(5-acetyl-2-fluorophenyl)prop-2-enyl]acetamide (PubChem CID 169465750) has the molecular formula C13H14FNO2 and a molecular weight of 235.26 g/mol. Its IUPAC name is N-[3-(5-acetyl-2-fluorophenyl)prop-2-enyl]acetamide.

Molecular Properties

Compound NameN-[3-(5-acetyl-2-fluorophenyl)prop-2-enyl]acetamide
PubChem CID169465750
Molecular FormulaC13H14FNO2
Molecular Weight235.26 g/mol
Exact Mass235.10
IUPAC NameN-[3-(5-acetyl-2-fluorophenyl)prop-2-enyl]acetamide
SMILESCC(=O)NCC=Cc1cc(C(C)=O)ccc1F
InChIInChI=1S/C13H14FNO2/c1-9(16)11-5-6-13(14)12(8-11)4-3-7-15-10(2)17/h3-6,8H,7H2,1-2H3,(H,15,17)
InChIKeyYJJRJQKHVWVTJG-UHFFFAOYSA-N
XLogP2.18
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(5-chloro-2-fluorophenyl)prop-2-enyl]acetamide
CID 169464994
4-(3-acetamidoprop-1-enyl)-2,5-difluorobenzoic acid
CID 169466002
N-[3-(3-fluoro-2-hydroxyphenyl)prop-2-enyl]acetamide
CID 169465029
methyl 3-(3-acetamidoprop-1-enyl)-4-hydroxybenzoate
CID 169466032
methyl 3-(3-acetamidoprop-1-enyl)-4-methylbenzoate
CID 169465993
N-[3-[2-fluoro-4-(trifluoromethyl)phenyl]prop-2-enyl]acetamide
CID 169465950
N-[3-(4-amino-3,5-difluorophenyl)prop-2-enyl]acetamide
CID 169465509
N-[3-(2-chloro-5-fluoro-4-methylphenyl)prop-2-enyl]acetamide
CID 169465270
N-[3-(2-bromo-4-chlorophenyl)prop-2-enyl]acetamide
CID 169466504
N-[3-[2-(aminomethyl)-4-fluorophenyl]prop-2-enyl]acetamide
CID 169465434
N-[3-(2-amino-3-fluoro-5-nitrophenyl)prop-2-enyl]acetamide
CID 169466052
methyl 3-(3-acetylsulfanylprop-1-enyl)-4-fluorobenzoate
CID 169457731

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-acetyl-2-fluorophenyl)prop-2-enyl]acetamide?
The IUPAC name of N-[3-(5-acetyl-2-fluorophenyl)prop-2-enyl]acetamide (CID 169465750) is N-[3-(5-acetyl-2-fluorophenyl)prop-2-enyl]acetamide.
What is the SMILES notation for N-[3-(5-acetyl-2-fluorophenyl)prop-2-enyl]acetamide?
The canonical SMILES for N-[3-(5-acetyl-2-fluorophenyl)prop-2-enyl]acetamide is CC(=O)NCC=Cc1cc(C(C)=O)ccc1F.
What is the InChIKey of N-[3-(5-acetyl-2-fluorophenyl)prop-2-enyl]acetamide?
The InChIKey is YJJRJQKHVWVTJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO2/c1-9(16)11-5-6-13(14)12(8-11)4-3-7-15-10(2)17/h3-6,8H,7H2,1-2H3,(H,15,17).
What are the key properties of N-[3-(5-acetyl-2-fluorophenyl)prop-2-enyl]acetamide?
N-[3-(5-acetyl-2-fluorophenyl)prop-2-enyl]acetamide has a molecular weight of 235.26 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-acetyl-2-fluorophenyl)prop-2-enyl]acetamide is sourced from PubChem (CID 169465750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).