N-[3-(4-chlorophenyl)prop-2-enyl]-2,2,2-trifluoroacetamide

C11H9ClF3NO — CID 57205917

IUPACN-[3-(4-chlorophenyl)prop-2-enyl]-2,2,2-trifluoroacetamide
SMILESO=C(NCC=Cc1ccc(Cl)cc1)C(F)(F)F
InChIInChI=1S/C11H9ClF3NO/c12-9-5-3-8(4-6-9)2-1-7-16-10(17)11(13,14)15/h1-6H,7H2,(H,16,17)
InChIKeyDPFXVGGZWGFCNK-UHFFFAOYSA-N
MW263.65 g/mol
LogP3.03
Rot. Bonds3

About N-[3-(4-chlorophenyl)prop-2-enyl]-2,2,2-trifluoroacetamide

N-[3-(4-chlorophenyl)prop-2-enyl]-2,2,2-trifluoroacetamide (PubChem CID 57205917) has the molecular formula C11H9ClF3NO and a molecular weight of 263.65 g/mol. Its IUPAC name is N-[3-(4-chlorophenyl)prop-2-enyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[3-(4-chlorophenyl)prop-2-enyl]-2,2,2-trifluoroacetamide
PubChem CID57205917
Molecular FormulaC11H9ClF3NO
Molecular Weight263.65 g/mol
Exact Mass263.03
IUPAC NameN-[3-(4-chlorophenyl)prop-2-enyl]-2,2,2-trifluoroacetamide
SMILESO=C(NCC=Cc1ccc(Cl)cc1)C(F)(F)F
InChIInChI=1S/C11H9ClF3NO/c12-9-5-3-8(4-6-9)2-1-7-16-10(17)11(13,14)15/h1-6H,7H2,(H,16,17)
InChIKeyDPFXVGGZWGFCNK-UHFFFAOYSA-N
XLogP3.03
TPSA29.10 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 ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]acetamide
CID 9877644
Cinnamamide, 4-chloro-N-(2-hydroxyethyl)-
CID 6434077
N-((4-Chlorophenyl)methyl)acetamide
CID 42116
3-(4-chlorophenyl)-N-(3-methoxypropyl)acrylamide
CID 2251334
N-[3-(3-chlorophenyl)propyl]acetamide
CID 10774874
Cinnamamide, 4-chloro-N-cyclopropyl-alpha,beta-dimethyl-, (E)-
CID 3033174
Cinnamamide, N-allyl-4-chloro-alpha,beta-dimethyl-, (E)-
CID 3033177
Cinnamamide, 4-chloro-alpha,beta-dimethyl-N-(2-propynyl)-, (E)-
CID 3033182
Cinnamamide, 4-chloro-N-cyclopropyl-alpha,beta-dimethyl-, (Z)-
CID 3033186
Cinnamamide, N-allyl-4-chloro-alpha,beta-dimethyl-, (Z)-
CID 3033190
N-allyl-3-(2-chloro-6-fluorophenyl)acrylamide
CID 1744810
Benzenepropenamide, N-butyl-4-chloro-
CID 5374017

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chlorophenyl)prop-2-enyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[3-(4-chlorophenyl)prop-2-enyl]-2,2,2-trifluoroacetamide (CID 57205917) is N-[3-(4-chlorophenyl)prop-2-enyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[3-(4-chlorophenyl)prop-2-enyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[3-(4-chlorophenyl)prop-2-enyl]-2,2,2-trifluoroacetamide is O=C(NCC=Cc1ccc(Cl)cc1)C(F)(F)F.
What is the InChIKey of N-[3-(4-chlorophenyl)prop-2-enyl]-2,2,2-trifluoroacetamide?
The InChIKey is DPFXVGGZWGFCNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClF3NO/c12-9-5-3-8(4-6-9)2-1-7-16-10(17)11(13,14)15/h1-6H,7H2,(H,16,17).
What are the key properties of N-[3-(4-chlorophenyl)prop-2-enyl]-2,2,2-trifluoroacetamide?
N-[3-(4-chlorophenyl)prop-2-enyl]-2,2,2-trifluoroacetamide has a molecular weight of 263.65 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chlorophenyl)prop-2-enyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 57205917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).