N-[3-(2,3,4,5,6-pentafluorophenyl)prop-2-enyl]acetamide

C11H8F5NO — CID 169465940

IUPACN-[3-(2,3,4,5,6-pentafluorophenyl)prop-2-enyl]acetamide
SMILESCC(=O)NCC=Cc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C11H8F5NO/c1-5(18)17-4-2-3-6-7(12)9(14)11(16)10(15)8(6)13/h2-3H,4H2,1H3,(H,17,18)
InChIKeyUZIFLLZBQFTWEM-UHFFFAOYSA-N
MW265.18 g/mol
LogP2.53
Rot. Bonds3

About N-[3-(2,3,4,5,6-pentafluorophenyl)prop-2-enyl]acetamide

N-[3-(2,3,4,5,6-pentafluorophenyl)prop-2-enyl]acetamide (PubChem CID 169465940) has the molecular formula C11H8F5NO and a molecular weight of 265.18 g/mol. Its IUPAC name is N-[3-(2,3,4,5,6-pentafluorophenyl)prop-2-enyl]acetamide.

Molecular Properties

Compound NameN-[3-(2,3,4,5,6-pentafluorophenyl)prop-2-enyl]acetamide
PubChem CID169465940
Molecular FormulaC11H8F5NO
Molecular Weight265.18 g/mol
Exact Mass265.05
IUPAC NameN-[3-(2,3,4,5,6-pentafluorophenyl)prop-2-enyl]acetamide
SMILESCC(=O)NCC=Cc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C11H8F5NO/c1-5(18)17-4-2-3-6-7(12)9(14)11(16)10(15)8(6)13/h2-3H,4H2,1H3,(H,17,18)
InChIKeyUZIFLLZBQFTWEM-UHFFFAOYSA-N
XLogP2.53
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.18
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze N-[3-(2,3,4,5,6-pentafluorophenyl)prop-2-enyl]acetamide 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

4-(3-acetamidoprop-1-enyl)-2,3,5,6-tetrafluorobenzoic acid
CID 169466374
N-[3-(2,6-difluoro-4-methoxyphenyl)prop-2-enyl]acetamide
CID 169466749
N-[3-(2,4,6-trihydroxyphenyl)prop-2-enyl]acetamide
CID 169466663
N-[3-(2-amino-4,6-dichloropyrimidin-5-yl)prop-2-enyl]acetamide
CID 169466857
N-[3-(5-fluoro-2-pyridinyl)prop-2-enyl]acetamide
CID 169464899
N-[3-(4-amino-3,5-difluorophenyl)prop-2-enyl]acetamide
CID 169465509
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-(2-fluoro-4-pyridinyl)prop-2-enyl]acetamide
CID 169464909
N-[3-(3-fluoro-2-hydroxyphenyl)prop-2-enyl]acetamide
CID 169465029
tert-butyl N-[3-(2,3,5,6-tetrafluorophenyl)prop-2-enyl]carbamate
CID 169467729
N-[3-(2-chloro-5-fluoro-4-methylphenyl)prop-2-enyl]acetamide
CID 169465270

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,3,4,5,6-pentafluorophenyl)prop-2-enyl]acetamide?
The IUPAC name of N-[3-(2,3,4,5,6-pentafluorophenyl)prop-2-enyl]acetamide (CID 169465940) is N-[3-(2,3,4,5,6-pentafluorophenyl)prop-2-enyl]acetamide.
What is the SMILES notation for N-[3-(2,3,4,5,6-pentafluorophenyl)prop-2-enyl]acetamide?
The canonical SMILES for N-[3-(2,3,4,5,6-pentafluorophenyl)prop-2-enyl]acetamide is CC(=O)NCC=Cc1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of N-[3-(2,3,4,5,6-pentafluorophenyl)prop-2-enyl]acetamide?
The InChIKey is UZIFLLZBQFTWEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F5NO/c1-5(18)17-4-2-3-6-7(12)9(14)11(16)10(15)8(6)13/h2-3H,4H2,1H3,(H,17,18).
What are the key properties of N-[3-(2,3,4,5,6-pentafluorophenyl)prop-2-enyl]acetamide?
N-[3-(2,3,4,5,6-pentafluorophenyl)prop-2-enyl]acetamide has a molecular weight of 265.18 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,3,4,5,6-pentafluorophenyl)prop-2-enyl]acetamide is sourced from PubChem (CID 169465940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).