N-[3-[2-chloro-3-(trifluoromethyl)phenyl]prop-2-enyl]acetamide

C12H11ClF3NO — CID 169466678

IUPACN-[3-[2-chloro-3-(trifluoromethyl)phenyl]prop-2-enyl]acetamide
SMILESCC(=O)NCC=Cc1cccc(C(F)(F)F)c1Cl
InChIInChI=1S/C12H11ClF3NO/c1-8(18)17-7-3-5-9-4-2-6-10(11(9)13)12(14,15)16/h2-6H,7H2,1H3,(H,17,18)
InChIKeyULQMKTSABQSGKV-UHFFFAOYSA-N
MW277.67 g/mol
LogP3.51
Rot. Bonds3

About N-[3-[2-chloro-3-(trifluoromethyl)phenyl]prop-2-enyl]acetamide

N-[3-[2-chloro-3-(trifluoromethyl)phenyl]prop-2-enyl]acetamide (PubChem CID 169466678) has the molecular formula C12H11ClF3NO and a molecular weight of 277.67 g/mol. Its IUPAC name is N-[3-[2-chloro-3-(trifluoromethyl)phenyl]prop-2-enyl]acetamide.

Molecular Properties

Compound NameN-[3-[2-chloro-3-(trifluoromethyl)phenyl]prop-2-enyl]acetamide
PubChem CID169466678
Molecular FormulaC12H11ClF3NO
Molecular Weight277.67 g/mol
Exact Mass277.05
IUPAC NameN-[3-[2-chloro-3-(trifluoromethyl)phenyl]prop-2-enyl]acetamide
SMILESCC(=O)NCC=Cc1cccc(C(F)(F)F)c1Cl
InChIInChI=1S/C12H11ClF3NO/c1-8(18)17-7-3-5-9-4-2-6-10(11(9)13)12(14,15)16/h2-6H,7H2,1H3,(H,17,18)
InChIKeyULQMKTSABQSGKV-UHFFFAOYSA-N
XLogP3.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.67
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[3-[2-chloro-3-(trifluoromethyl)phenyl]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

N-[3-(2,3-dichlorophenyl)prop-2-enyl]acetamide
CID 169464992
N-[4-[2-fluoro-3-(trifluoromethyl)phenyl]but-3-enyl]acetamide
CID 170489174
N-[3-(3-fluoro-2-hydroxyphenyl)prop-2-enyl]acetamide
CID 169465029
N-(3-naphthalen-1-ylprop-2-enyl)acetamide
CID 169465612
N-[3-(2-amino-3-methylphenyl)prop-2-enyl]acetamide
CID 169465158
N-[3-(5-chloro-2-fluorophenyl)prop-2-enyl]acetamide
CID 169464994
N-[3-[2-methyl-4-(trifluoromethyl)phenyl]prop-2-enyl]acetamide
CID 169465937
N-[3-[3-amino-4-(trifluoromethyl)phenyl]prop-2-enyl]acetamide
CID 169466078
N-[3-[3-fluoro-4-(trifluoromethyl)phenyl]prop-2-enyl]acetamide
CID 169465955
N-[3-[2-fluoro-4-(trifluoromethyl)phenyl]prop-2-enyl]acetamide
CID 169465950
N-[3-[4-amino-3-(trifluoromethyl)phenyl]prop-2-enyl]acetamide
CID 169466074
3-(3-acetamidoprop-1-enyl)-2-methylbenzoic acid
CID 169465735

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-chloro-3-(trifluoromethyl)phenyl]prop-2-enyl]acetamide?
The IUPAC name of N-[3-[2-chloro-3-(trifluoromethyl)phenyl]prop-2-enyl]acetamide (CID 169466678) is N-[3-[2-chloro-3-(trifluoromethyl)phenyl]prop-2-enyl]acetamide.
What is the SMILES notation for N-[3-[2-chloro-3-(trifluoromethyl)phenyl]prop-2-enyl]acetamide?
The canonical SMILES for N-[3-[2-chloro-3-(trifluoromethyl)phenyl]prop-2-enyl]acetamide is CC(=O)NCC=Cc1cccc(C(F)(F)F)c1Cl.
What is the InChIKey of N-[3-[2-chloro-3-(trifluoromethyl)phenyl]prop-2-enyl]acetamide?
The InChIKey is ULQMKTSABQSGKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClF3NO/c1-8(18)17-7-3-5-9-4-2-6-10(11(9)13)12(14,15)16/h2-6H,7H2,1H3,(H,17,18).
What are the key properties of N-[3-[2-chloro-3-(trifluoromethyl)phenyl]prop-2-enyl]acetamide?
N-[3-[2-chloro-3-(trifluoromethyl)phenyl]prop-2-enyl]acetamide has a molecular weight of 277.67 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-chloro-3-(trifluoromethyl)phenyl]prop-2-enyl]acetamide is sourced from PubChem (CID 169466678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).