N-[3-[2-amino-4-(trifluoromethoxy)phenyl]prop-2-enyl]acetamide

C12H13F3N2O2 — CID 169466350

IUPACN-[3-[2-amino-4-(trifluoromethoxy)phenyl]prop-2-enyl]acetamide
SMILESCC(=O)NCC=Cc1ccc(OC(F)(F)F)cc1N
InChIInChI=1S/C12H13F3N2O2/c1-8(18)17-6-2-3-9-4-5-10(7-11(9)16)19-12(13,14)15/h2-5,7H,6,16H2,1H3,(H,17,18)
InChIKeyYFYRHOKNKDSMBJ-UHFFFAOYSA-N
MW274.24 g/mol
LogP2.32
Rot. Bonds4

About N-[3-[2-amino-4-(trifluoromethoxy)phenyl]prop-2-enyl]acetamide

N-[3-[2-amino-4-(trifluoromethoxy)phenyl]prop-2-enyl]acetamide (PubChem CID 169466350) has the molecular formula C12H13F3N2O2 and a molecular weight of 274.24 g/mol. Its IUPAC name is N-[3-[2-amino-4-(trifluoromethoxy)phenyl]prop-2-enyl]acetamide.

Molecular Properties

Compound NameN-[3-[2-amino-4-(trifluoromethoxy)phenyl]prop-2-enyl]acetamide
PubChem CID169466350
Molecular FormulaC12H13F3N2O2
Molecular Weight274.24 g/mol
Exact Mass274.09
IUPAC NameN-[3-[2-amino-4-(trifluoromethoxy)phenyl]prop-2-enyl]acetamide
SMILESCC(=O)NCC=Cc1ccc(OC(F)(F)F)cc1N
InChIInChI=1S/C12H13F3N2O2/c1-8(18)17-6-2-3-9-4-5-10(7-11(9)16)19-12(13,14)15/h2-5,7H,6,16H2,1H3,(H,17,18)
InChIKeyYFYRHOKNKDSMBJ-UHFFFAOYSA-N
XLogP2.32
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.24
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-[2-amino-4-(trifluoromethoxy)phenyl]prop-2-enyl]acetamide?
The IUPAC name of N-[3-[2-amino-4-(trifluoromethoxy)phenyl]prop-2-enyl]acetamide (CID 169466350) is N-[3-[2-amino-4-(trifluoromethoxy)phenyl]prop-2-enyl]acetamide.
What is the SMILES notation for N-[3-[2-amino-4-(trifluoromethoxy)phenyl]prop-2-enyl]acetamide?
The canonical SMILES for N-[3-[2-amino-4-(trifluoromethoxy)phenyl]prop-2-enyl]acetamide is CC(=O)NCC=Cc1ccc(OC(F)(F)F)cc1N.
What is the InChIKey of N-[3-[2-amino-4-(trifluoromethoxy)phenyl]prop-2-enyl]acetamide?
The InChIKey is YFYRHOKNKDSMBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O2/c1-8(18)17-6-2-3-9-4-5-10(7-11(9)16)19-12(13,14)15/h2-5,7H,6,16H2,1H3,(H,17,18).
What are the key properties of N-[3-[2-amino-4-(trifluoromethoxy)phenyl]prop-2-enyl]acetamide?
N-[3-[2-amino-4-(trifluoromethoxy)phenyl]prop-2-enyl]acetamide has a molecular weight of 274.24 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-amino-4-(trifluoromethoxy)phenyl]prop-2-enyl]acetamide is sourced from PubChem (CID 169466350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).