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

C14H16F3NO — CID 170489158

IUPACN-[4-[3-methyl-4-(trifluoromethyl)phenyl]but-3-enyl]acetamide
SMILESCC(=O)NCCC=Cc1ccc(C(F)(F)F)c(C)c1
InChIInChI=1S/C14H16F3NO/c1-10-9-12(5-3-4-8-18-11(2)19)6-7-13(10)14(15,16)17/h3,5-7,9H,4,8H2,1-2H3,(H,18,19)
InChIKeyLWPWMLXEBTZGHA-UHFFFAOYSA-N
MW271.28 g/mol
LogP3.55
Rot. Bonds4

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

N-[4-[3-methyl-4-(trifluoromethyl)phenyl]but-3-enyl]acetamide (PubChem CID 170489158) has the molecular formula C14H16F3NO and a molecular weight of 271.28 g/mol. Its IUPAC name is N-[4-[3-methyl-4-(trifluoromethyl)phenyl]but-3-enyl]acetamide.

Molecular Properties

Compound NameN-[4-[3-methyl-4-(trifluoromethyl)phenyl]but-3-enyl]acetamide
PubChem CID170489158
Molecular FormulaC14H16F3NO
Molecular Weight271.28 g/mol
Exact Mass271.12
IUPAC NameN-[4-[3-methyl-4-(trifluoromethyl)phenyl]but-3-enyl]acetamide
SMILESCC(=O)NCCC=Cc1ccc(C(F)(F)F)c(C)c1
InChIInChI=1S/C14H16F3NO/c1-10-9-12(5-3-4-8-18-11(2)19)6-7-13(10)14(15,16)17/h3,5-7,9H,4,8H2,1-2H3,(H,18,19)
InChIKeyLWPWMLXEBTZGHA-UHFFFAOYSA-N
XLogP3.55
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-(3-fluoro-4-methylphenyl)but-3-enyl]acetamide
CID 170488192
benzyl N-[4-[3-methyl-4-(trifluoromethyl)phenyl]but-3-enyl]carbamate
CID 170494526
N-[4-(3-amino-4-methylphenyl)but-3-enyl]acetamide
CID 170488388
N-[4-(4-cyano-3-methylphenyl)but-3-enyl]acetamide
CID 170488699
4-[3-methyl-4-(trifluoromethyl)phenyl]but-3-en-1-amine
CID 170487396
methyl 5-(4-acetamidobut-1-enyl)-2-methylbenzoate
CID 170489218
N-[4-(4-methyl-3-nitrophenyl)but-3-enyl]acetamide
CID 170489127
N-[4-(3-amino-4-hydroxyphenyl)but-3-enyl]acetamide
CID 170488438
N-[4-(3-methylphenyl)but-3-enyl]acetamide
CID 170488073
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
4-[4-methyl-3-(trifluoromethyl)phenyl]but-3-en-1-ol
CID 170477031

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-methyl-4-(trifluoromethyl)phenyl]but-3-enyl]acetamide?
The IUPAC name of N-[4-[3-methyl-4-(trifluoromethyl)phenyl]but-3-enyl]acetamide (CID 170489158) is N-[4-[3-methyl-4-(trifluoromethyl)phenyl]but-3-enyl]acetamide.
What is the SMILES notation for N-[4-[3-methyl-4-(trifluoromethyl)phenyl]but-3-enyl]acetamide?
The canonical SMILES for N-[4-[3-methyl-4-(trifluoromethyl)phenyl]but-3-enyl]acetamide is CC(=O)NCCC=Cc1ccc(C(F)(F)F)c(C)c1.
What is the InChIKey of N-[4-[3-methyl-4-(trifluoromethyl)phenyl]but-3-enyl]acetamide?
The InChIKey is LWPWMLXEBTZGHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3NO/c1-10-9-12(5-3-4-8-18-11(2)19)6-7-13(10)14(15,16)17/h3,5-7,9H,4,8H2,1-2H3,(H,18,19).
What are the key properties of N-[4-[3-methyl-4-(trifluoromethyl)phenyl]but-3-enyl]acetamide?
N-[4-[3-methyl-4-(trifluoromethyl)phenyl]but-3-enyl]acetamide has a molecular weight of 271.28 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-methyl-4-(trifluoromethyl)phenyl]but-3-enyl]acetamide is sourced from PubChem (CID 170489158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).