3-[N-acetyl-4-(trifluoromethyl)anilino]-N-prop-2-enylpropanamide

C15H17F3N2O2 — CID 113130514

IUPAC3-[N-acetyl-4-(trifluoromethyl)anilino]-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)CCN(C(C)=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H17F3N2O2/c1-3-9-19-14(22)8-10-20(11(2)21)13-6-4-12(5-7-13)15(16,17)18/h3-7H,1,8-10H2,2H3,(H,19,22)
InChIKeyMLMFUASMWYKOCC-UHFFFAOYSA-N
MW314.31 g/mol
LogP2.75
Rot. Bonds6

About 3-[N-acetyl-4-(trifluoromethyl)anilino]-N-prop-2-enylpropanamide

3-[N-acetyl-4-(trifluoromethyl)anilino]-N-prop-2-enylpropanamide (PubChem CID 113130514) has the molecular formula C15H17F3N2O2 and a molecular weight of 314.31 g/mol. Its IUPAC name is 3-[N-acetyl-4-(trifluoromethyl)anilino]-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name3-[N-acetyl-4-(trifluoromethyl)anilino]-N-prop-2-enylpropanamide
PubChem CID113130514
Molecular FormulaC15H17F3N2O2
Molecular Weight314.31 g/mol
Exact Mass314.12
IUPAC Name3-[N-acetyl-4-(trifluoromethyl)anilino]-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)CCN(C(C)=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H17F3N2O2/c1-3-9-19-14(22)8-10-20(11(2)21)13-6-4-12(5-7-13)15(16,17)18/h3-7H,1,8-10H2,2H3,(H,19,22)
InChIKeyMLMFUASMWYKOCC-UHFFFAOYSA-N
XLogP2.75
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.31
LogP ≤ 52.75
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
3-[N-acetyl-4-(trifluoromethyl)anilino]-N-propan-2-ylpropanamide
CID 113130512
N-[2-[N-acetyl-4-(trifluoromethyl)anilino]ethyl]pentanamide
CID 113061483
3-[N-acetyl-4-(dimethylamino)anilino]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 113131796
3-(N-acetyl-4-propan-2-ylanilino)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 113125934
3-(N-acetyl-3,4-dimethoxyanilino)-N-prop-2-enylpropanamide
CID 113130181
2-[N-acetyl-3-(trifluoromethyl)anilino]-N-prop-2-enylacetamide
CID 113175103
3-(N-acetyl-2-ethylanilino)-N-prop-2-enylpropanamide
CID 113125155
3-(N-acetyl-4-tert-butylanilino)-N-(2-methylpropyl)propanamide
CID 113126503
N-[2-(N,4-diacetylanilino)ethyl]-4-(trifluoromethyl)benzamide
CID 113061679
tert-butyl N-[2-[N-acetyl-4-(trifluoromethyl)anilino]ethyl]carbamate
CID 113061526
3-(N-acetyl-2-chloroanilino)-N-prop-2-enylpropanamide
CID 113127011

Frequently Asked Questions

What is the IUPAC name of 3-[N-acetyl-4-(trifluoromethyl)anilino]-N-prop-2-enylpropanamide?
The IUPAC name of 3-[N-acetyl-4-(trifluoromethyl)anilino]-N-prop-2-enylpropanamide (CID 113130514) is 3-[N-acetyl-4-(trifluoromethyl)anilino]-N-prop-2-enylpropanamide.
What is the SMILES notation for 3-[N-acetyl-4-(trifluoromethyl)anilino]-N-prop-2-enylpropanamide?
The canonical SMILES for 3-[N-acetyl-4-(trifluoromethyl)anilino]-N-prop-2-enylpropanamide is C=CCNC(=O)CCN(C(C)=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 3-[N-acetyl-4-(trifluoromethyl)anilino]-N-prop-2-enylpropanamide?
The InChIKey is MLMFUASMWYKOCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N2O2/c1-3-9-19-14(22)8-10-20(11(2)21)13-6-4-12(5-7-13)15(16,17)18/h3-7H,1,8-10H2,2H3,(H,19,22).
What are the key properties of 3-[N-acetyl-4-(trifluoromethyl)anilino]-N-prop-2-enylpropanamide?
3-[N-acetyl-4-(trifluoromethyl)anilino]-N-prop-2-enylpropanamide has a molecular weight of 314.31 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[N-acetyl-4-(trifluoromethyl)anilino]-N-prop-2-enylpropanamide is sourced from PubChem (CID 113130514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).