N-[3-[3-chloro-5-(trifluoromethyl)phenyl]prop-2-enyl]acetamide

C12H11ClF3NO — CID 169465954

IUPACN-[3-[3-chloro-5-(trifluoromethyl)phenyl]prop-2-enyl]acetamide
SMILESCC(=O)NCC=Cc1cc(Cl)cc(C(F)(F)F)c1
InChIInChI=1S/C12H11ClF3NO/c1-8(18)17-4-2-3-9-5-10(12(14,15)16)7-11(13)6-9/h2-3,5-7H,4H2,1H3,(H,17,18)
InChIKeyAPBFUEXHSGNBIX-UHFFFAOYSA-N
MW277.67 g/mol
LogP3.51
Rot. Bonds3

About N-[3-[3-chloro-5-(trifluoromethyl)phenyl]prop-2-enyl]acetamide

N-[3-[3-chloro-5-(trifluoromethyl)phenyl]prop-2-enyl]acetamide (PubChem CID 169465954) has the molecular formula C12H11ClF3NO and a molecular weight of 277.67 g/mol. Its IUPAC name is N-[3-[3-chloro-5-(trifluoromethyl)phenyl]prop-2-enyl]acetamide.

Molecular Properties

Compound NameN-[3-[3-chloro-5-(trifluoromethyl)phenyl]prop-2-enyl]acetamide
PubChem CID169465954
Molecular FormulaC12H11ClF3NO
Molecular Weight277.67 g/mol
Exact Mass277.05
IUPAC NameN-[3-[3-chloro-5-(trifluoromethyl)phenyl]prop-2-enyl]acetamide
SMILESCC(=O)NCC=Cc1cc(Cl)cc(C(F)(F)F)c1
InChIInChI=1S/C12H11ClF3NO/c1-8(18)17-4-2-3-9-5-10(12(14,15)16)7-11(13)6-9/h2-3,5-7H,4H2,1H3,(H,17,18)
InChIKeyAPBFUEXHSGNBIX-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

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Related Compounds

N-[3-[3-hydroxy-5-(trifluoromethyl)phenyl]prop-2-enyl]acetamide
CID 169466014
3-(3-acetamidoprop-1-enyl)-5-(trifluoromethyl)benzoic acid
CID 169466368
4-[3-chloro-5-(trifluoromethyl)phenyl]but-3-enoic acid
CID 170484042
N-[3-(3-chloro-5-methylphenyl)prop-2-enyl]acetamide
CID 169464965
4-[3-chloro-5-(trifluoromethyl)phenyl]but-3-en-1-ol
CID 170477050
4-[3-chloro-5-(trifluoromethyl)phenyl]-N-methylbut-3-en-1-amine
CID 170496242
1-chloro-3-(4-chlorobut-1-enyl)-5-(trifluoromethyl)benzene
CID 170499630
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-methyl-4-(trifluoromethyl)phenyl]prop-2-enyl]acetamide
CID 169465937
3-[3-chloro-5-(trifluoromethyl)phenyl]prop-2-enamide
CID 169482204
1-(4-bromobut-1-enyl)-3-chloro-5-(trifluoromethyl)benzene
CID 170497935

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-chloro-5-(trifluoromethyl)phenyl]prop-2-enyl]acetamide?
The IUPAC name of N-[3-[3-chloro-5-(trifluoromethyl)phenyl]prop-2-enyl]acetamide (CID 169465954) is N-[3-[3-chloro-5-(trifluoromethyl)phenyl]prop-2-enyl]acetamide.
What is the SMILES notation for N-[3-[3-chloro-5-(trifluoromethyl)phenyl]prop-2-enyl]acetamide?
The canonical SMILES for N-[3-[3-chloro-5-(trifluoromethyl)phenyl]prop-2-enyl]acetamide is CC(=O)NCC=Cc1cc(Cl)cc(C(F)(F)F)c1.
What is the InChIKey of N-[3-[3-chloro-5-(trifluoromethyl)phenyl]prop-2-enyl]acetamide?
The InChIKey is APBFUEXHSGNBIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClF3NO/c1-8(18)17-4-2-3-9-5-10(12(14,15)16)7-11(13)6-9/h2-3,5-7H,4H2,1H3,(H,17,18).
What are the key properties of N-[3-[3-chloro-5-(trifluoromethyl)phenyl]prop-2-enyl]acetamide?
N-[3-[3-chloro-5-(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-[3-chloro-5-(trifluoromethyl)phenyl]prop-2-enyl]acetamide is sourced from PubChem (CID 169465954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).