N-but-2-enyl-2,2,2-trichloro-N-[3-(trifluoromethyl)phenyl]acetamide

C13H11Cl3F3NO — CID 54376750

IUPACN-but-2-enyl-2,2,2-trichloro-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCC=CCN(C(=O)C(Cl)(Cl)Cl)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H11Cl3F3NO/c1-2-3-7-20(11(21)12(14,15)16)10-6-4-5-9(8-10)13(17,18)19/h2-6,8H,7H2,1H3
InChIKeyUXAWEXYGEZCROY-UHFFFAOYSA-N
MW360.59 g/mol
LogP4.98
Rot. Bonds3

About N-but-2-enyl-2,2,2-trichloro-N-[3-(trifluoromethyl)phenyl]acetamide

N-but-2-enyl-2,2,2-trichloro-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 54376750) has the molecular formula C13H11Cl3F3NO and a molecular weight of 360.59 g/mol. Its IUPAC name is N-but-2-enyl-2,2,2-trichloro-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-but-2-enyl-2,2,2-trichloro-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID54376750
Molecular FormulaC13H11Cl3F3NO
Molecular Weight360.59 g/mol
Exact Mass358.99
IUPAC NameN-but-2-enyl-2,2,2-trichloro-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCC=CCN(C(=O)C(Cl)(Cl)Cl)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H11Cl3F3NO/c1-2-3-7-20(11(21)12(14,15)16)10-6-4-5-9(8-10)13(17,18)19/h2-6,8H,7H2,1H3
InChIKeyUXAWEXYGEZCROY-UHFFFAOYSA-N
XLogP4.98
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.59
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-but-2-enyl-2-chloro-2-phenyl-N-[3-(trifluoromethyl)phenyl]acetamide
CID 54049845
1-but-2-enyl-3-phenyl-1-[3-(trifluoromethyl)phenyl]thiourea
CID 54473079
1-[(Z)-2-chlorobut-2-enyl]-1-[3-(trifluoromethyl)phenyl]thiourea
CID 21480098
N-[(E)-but-2-enyl]-2,2,2-trifluoro-N-[2-iodo-4-(trifluoromethyl)phenyl]acetamide
CID 87496605
ethyl N-ethyl-N-[3-(trifluoromethyl)phenyl]carbamate
CID 66804011
propan-2-yl N-(chloromethyl)-N-[3-(trifluoromethyl)phenyl]carbamate
CID 23465054
3-[N-acetyl-3-(trifluoromethyl)anilino]-N-prop-2-enylpropanamide
CID 113130407
3-[N-(2-methoxyacetyl)-3-(trifluoromethyl)anilino]propanoic acid
CID 82321756
propan-2-yl N-ethyl-N-[3-(trifluoromethyl)phenyl]carbamate
CID 140972623
3-[N-carbamothioyl-3-(trifluoromethyl)anilino]propanoate
CID 7312525
2-[N-ethyl-3-(trifluoromethyl)anilino]acetic acid
CID 83561847
[N-(dimethylcarbamoyl)-3-(trifluoromethyl)anilino]methyl acetate
CID 21499904

Frequently Asked Questions

What is the IUPAC name of N-but-2-enyl-2,2,2-trichloro-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-but-2-enyl-2,2,2-trichloro-N-[3-(trifluoromethyl)phenyl]acetamide (CID 54376750) is N-but-2-enyl-2,2,2-trichloro-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-but-2-enyl-2,2,2-trichloro-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-but-2-enyl-2,2,2-trichloro-N-[3-(trifluoromethyl)phenyl]acetamide is CC=CCN(C(=O)C(Cl)(Cl)Cl)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-but-2-enyl-2,2,2-trichloro-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is UXAWEXYGEZCROY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl3F3NO/c1-2-3-7-20(11(21)12(14,15)16)10-6-4-5-9(8-10)13(17,18)19/h2-6,8H,7H2,1H3.
What are the key properties of N-but-2-enyl-2,2,2-trichloro-N-[3-(trifluoromethyl)phenyl]acetamide?
N-but-2-enyl-2,2,2-trichloro-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 360.59 g/mol, XLogP of 4.98, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-2-enyl-2,2,2-trichloro-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 54376750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).