4-[2-chloro-4-(trifluoromethyl)phenyl]but-3-enamide

C11H9ClF3NO — CID 170799023

IUPAC4-[2-chloro-4-(trifluoromethyl)phenyl]but-3-enamide
SMILESNC(=O)CC=Cc1ccc(C(F)(F)F)cc1Cl
InChIInChI=1S/C11H9ClF3NO/c12-9-6-8(11(13,14)15)5-4-7(9)2-1-3-10(16)17/h1-2,4-6H,3H2,(H2,16,17)
InChIKeyLPXJLFYXVIBFGG-UHFFFAOYSA-N
MW263.65 g/mol
LogP3.25
Rot. Bonds3

About 4-[2-chloro-4-(trifluoromethyl)phenyl]but-3-enamide

4-[2-chloro-4-(trifluoromethyl)phenyl]but-3-enamide (PubChem CID 170799023) has the molecular formula C11H9ClF3NO and a molecular weight of 263.65 g/mol. Its IUPAC name is 4-[2-chloro-4-(trifluoromethyl)phenyl]but-3-enamide.

Molecular Properties

Compound Name4-[2-chloro-4-(trifluoromethyl)phenyl]but-3-enamide
PubChem CID170799023
Molecular FormulaC11H9ClF3NO
Molecular Weight263.65 g/mol
Exact Mass263.03
IUPAC Name4-[2-chloro-4-(trifluoromethyl)phenyl]but-3-enamide
SMILESNC(=O)CC=Cc1ccc(C(F)(F)F)cc1Cl
InChIInChI=1S/C11H9ClF3NO/c12-9-6-8(11(13,14)15)5-4-7(9)2-1-3-10(16)17/h1-2,4-6H,3H2,(H2,16,17)
InChIKeyLPXJLFYXVIBFGG-UHFFFAOYSA-N
XLogP3.25
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.65
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[2-chloro-4-(trifluoromethyl)phenyl]prop-2-enamide
CID 169482778
4-[2-chloro-4-(trifluoromethyl)phenyl]but-3-enal
CID 170482954
1-(3-bromoprop-1-enyl)-2-chloro-4-(trifluoromethyl)benzene
CID 169476529
S-[4-[2-chloro-4-(trifluoromethyl)phenyl]but-3-enyl] ethanethioate
CID 170481235
4-[2-amino-5-(trifluoromethyl)-3-pyridinyl]but-3-enamide
CID 170798498
benzyl N-[4-[2-chloro-4-(trifluoromethyl)phenyl]but-3-enyl]carbamate
CID 170495162
4-(2-chloro-5-hydroxyphenyl)but-3-enamide
CID 170797475
4-(2-amino-4-chlorophenyl)but-3-enamide
CID 170797583
4-(3,5-dichloro-4-fluorophenyl)but-3-enamide
CID 170797705
3-[2-chloro-5-(trifluoromethyl)phenyl]prop-2-en-1-amine
CID 169463994
4-(4-tert-butylphenyl)but-3-enamide
CID 170798132
4-(2-amino-5-chlorophenyl)but-3-enamide
CID 170797582

Frequently Asked Questions

What is the IUPAC name of 4-[2-chloro-4-(trifluoromethyl)phenyl]but-3-enamide?
The IUPAC name of 4-[2-chloro-4-(trifluoromethyl)phenyl]but-3-enamide (CID 170799023) is 4-[2-chloro-4-(trifluoromethyl)phenyl]but-3-enamide.
What is the SMILES notation for 4-[2-chloro-4-(trifluoromethyl)phenyl]but-3-enamide?
The canonical SMILES for 4-[2-chloro-4-(trifluoromethyl)phenyl]but-3-enamide is NC(=O)CC=Cc1ccc(C(F)(F)F)cc1Cl.
What is the InChIKey of 4-[2-chloro-4-(trifluoromethyl)phenyl]but-3-enamide?
The InChIKey is LPXJLFYXVIBFGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClF3NO/c12-9-6-8(11(13,14)15)5-4-7(9)2-1-3-10(16)17/h1-2,4-6H,3H2,(H2,16,17).
What are the key properties of 4-[2-chloro-4-(trifluoromethyl)phenyl]but-3-enamide?
4-[2-chloro-4-(trifluoromethyl)phenyl]but-3-enamide has a molecular weight of 263.65 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-chloro-4-(trifluoromethyl)phenyl]but-3-enamide is sourced from PubChem (CID 170799023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).