N-[3-[2-methyl-4-(trifluoromethyl)phenyl]prop-2-enyl]acetamide

C13H14F3NO — CID 169465937

IUPACN-[3-[2-methyl-4-(trifluoromethyl)phenyl]prop-2-enyl]acetamide
SMILESCC(=O)NCC=Cc1ccc(C(F)(F)F)cc1C
InChIInChI=1S/C13H14F3NO/c1-9-8-12(13(14,15)16)6-5-11(9)4-3-7-17-10(2)18/h3-6,8H,7H2,1-2H3,(H,17,18)
InChIKeyXFDLCWNIBADHPZ-UHFFFAOYSA-N
MW257.25 g/mol
LogP3.16
Rot. Bonds3

About N-[3-[2-methyl-4-(trifluoromethyl)phenyl]prop-2-enyl]acetamide

N-[3-[2-methyl-4-(trifluoromethyl)phenyl]prop-2-enyl]acetamide (PubChem CID 169465937) has the molecular formula C13H14F3NO and a molecular weight of 257.25 g/mol. Its IUPAC name is N-[3-[2-methyl-4-(trifluoromethyl)phenyl]prop-2-enyl]acetamide.

Molecular Properties

Compound NameN-[3-[2-methyl-4-(trifluoromethyl)phenyl]prop-2-enyl]acetamide
PubChem CID169465937
Molecular FormulaC13H14F3NO
Molecular Weight257.25 g/mol
Exact Mass257.10
IUPAC NameN-[3-[2-methyl-4-(trifluoromethyl)phenyl]prop-2-enyl]acetamide
SMILESCC(=O)NCC=Cc1ccc(C(F)(F)F)cc1C
InChIInChI=1S/C13H14F3NO/c1-9-8-12(13(14,15)16)6-5-11(9)4-3-7-17-10(2)18/h3-6,8H,7H2,1-2H3,(H,17,18)
InChIKeyXFDLCWNIBADHPZ-UHFFFAOYSA-N
XLogP3.16
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[3-[2-methyl-4-(trifluoromethyl)phenyl]prop-2-enyl]acetamide?
The IUPAC name of N-[3-[2-methyl-4-(trifluoromethyl)phenyl]prop-2-enyl]acetamide (CID 169465937) is N-[3-[2-methyl-4-(trifluoromethyl)phenyl]prop-2-enyl]acetamide.
What is the SMILES notation for N-[3-[2-methyl-4-(trifluoromethyl)phenyl]prop-2-enyl]acetamide?
The canonical SMILES for N-[3-[2-methyl-4-(trifluoromethyl)phenyl]prop-2-enyl]acetamide is CC(=O)NCC=Cc1ccc(C(F)(F)F)cc1C.
What is the InChIKey of N-[3-[2-methyl-4-(trifluoromethyl)phenyl]prop-2-enyl]acetamide?
The InChIKey is XFDLCWNIBADHPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3NO/c1-9-8-12(13(14,15)16)6-5-11(9)4-3-7-17-10(2)18/h3-6,8H,7H2,1-2H3,(H,17,18).
What are the key properties of N-[3-[2-methyl-4-(trifluoromethyl)phenyl]prop-2-enyl]acetamide?
N-[3-[2-methyl-4-(trifluoromethyl)phenyl]prop-2-enyl]acetamide has a molecular weight of 257.25 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-methyl-4-(trifluoromethyl)phenyl]prop-2-enyl]acetamide is sourced from PubChem (CID 169465937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).