2-[N-acetyl-3-(trifluoromethyl)anilino]-N-prop-2-enylacetamide

C14H15F3N2O2 — CID 113175103

IUPAC2-[N-acetyl-3-(trifluoromethyl)anilino]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN(C(C)=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H15F3N2O2/c1-3-7-18-13(21)9-19(10(2)20)12-6-4-5-11(8-12)14(15,16)17/h3-6,8H,1,7,9H2,2H3,(H,18,21)
InChIKeyKRSCRMUMRUUESX-UHFFFAOYSA-N
MW300.28 g/mol
LogP2.36
Rot. Bonds5

About 2-[N-acetyl-3-(trifluoromethyl)anilino]-N-prop-2-enylacetamide

2-[N-acetyl-3-(trifluoromethyl)anilino]-N-prop-2-enylacetamide (PubChem CID 113175103) has the molecular formula C14H15F3N2O2 and a molecular weight of 300.28 g/mol. Its IUPAC name is 2-[N-acetyl-3-(trifluoromethyl)anilino]-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-[N-acetyl-3-(trifluoromethyl)anilino]-N-prop-2-enylacetamide
PubChem CID113175103
Molecular FormulaC14H15F3N2O2
Molecular Weight300.28 g/mol
Exact Mass300.11
IUPAC Name2-[N-acetyl-3-(trifluoromethyl)anilino]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN(C(C)=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H15F3N2O2/c1-3-7-18-13(21)9-19(10(2)20)12-6-4-5-11(8-12)14(15,16)17/h3-6,8H,1,7,9H2,2H3,(H,18,21)
InChIKeyKRSCRMUMRUUESX-UHFFFAOYSA-N
XLogP2.36
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.28
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[N-acetyl-3-(trifluoromethyl)anilino]-N-prop-2-enylpropanamide
CID 113130407
2-[N-acetyl-3-(trifluoromethyl)anilino]-N-benzylacetamide
CID 113175125
2-[N-acetyl-3-(trifluoromethyl)anilino]-N-[(4-fluorophenyl)methyl]acetamide
CID 113175132
N-(4-acetylphenyl)-2-[N-acetyl-3-(trifluoromethyl)anilino]acetamide
CID 113175214
2-[N-acetyl-3-(trifluoromethyl)anilino]-N-(2,6-difluorophenyl)acetamide
CID 113175232
3-[N-acetyl-4-(trifluoromethyl)anilino]-N-prop-2-enylpropanamide
CID 113130514
2-(N-acetyl-3-bromo-4-methylanilino)-N-prop-2-enylacetamide
CID 113173028
2-(N-acetyl-2,6-dimethylanilino)-N-prop-2-enylacetamide
CID 113168626
N-[2-[N-acetyl-3-(trifluoromethyl)anilino]ethyl]-2-phenylacetamide
CID 113061443
3-[N-acetyl-3-(trifluoromethyl)anilino]-N-[2-(dimethylamino)ethyl]propanamide
CID 113130421
3-[N-acetyl-3-(trifluoromethyl)anilino]-N-benzylpropanamide
CID 113130429
2-[N-acetyl-3-(trifluoromethyl)anilino]-N-(5-chloro-2-methylphenyl)acetamide
CID 113175197

Frequently Asked Questions

What is the IUPAC name of 2-[N-acetyl-3-(trifluoromethyl)anilino]-N-prop-2-enylacetamide?
The IUPAC name of 2-[N-acetyl-3-(trifluoromethyl)anilino]-N-prop-2-enylacetamide (CID 113175103) is 2-[N-acetyl-3-(trifluoromethyl)anilino]-N-prop-2-enylacetamide.
What is the SMILES notation for 2-[N-acetyl-3-(trifluoromethyl)anilino]-N-prop-2-enylacetamide?
The canonical SMILES for 2-[N-acetyl-3-(trifluoromethyl)anilino]-N-prop-2-enylacetamide is C=CCNC(=O)CN(C(C)=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[N-acetyl-3-(trifluoromethyl)anilino]-N-prop-2-enylacetamide?
The InChIKey is KRSCRMUMRUUESX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2O2/c1-3-7-18-13(21)9-19(10(2)20)12-6-4-5-11(8-12)14(15,16)17/h3-6,8H,1,7,9H2,2H3,(H,18,21).
What are the key properties of 2-[N-acetyl-3-(trifluoromethyl)anilino]-N-prop-2-enylacetamide?
2-[N-acetyl-3-(trifluoromethyl)anilino]-N-prop-2-enylacetamide has a molecular weight of 300.28 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-acetyl-3-(trifluoromethyl)anilino]-N-prop-2-enylacetamide is sourced from PubChem (CID 113175103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).