3-(prop-2-enylamino)-N-[3-(trifluoromethyl)phenyl]propanamide

C13H15F3N2O — CID 109012118

IUPAC3-(prop-2-enylamino)-N-[3-(trifluoromethyl)phenyl]propanamide
SMILESC=CCNCCC(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H15F3N2O/c1-2-7-17-8-6-12(19)18-11-5-3-4-10(9-11)13(14,15)16/h2-5,9,17H,1,6-8H2,(H,18,19)
InChIKeyIMADCYVGTZHKKQ-UHFFFAOYSA-N
MW272.27 g/mol
LogP2.81
Rot. Bonds6

About 3-(prop-2-enylamino)-N-[3-(trifluoromethyl)phenyl]propanamide

3-(prop-2-enylamino)-N-[3-(trifluoromethyl)phenyl]propanamide (PubChem CID 109012118) has the molecular formula C13H15F3N2O and a molecular weight of 272.27 g/mol. Its IUPAC name is 3-(prop-2-enylamino)-N-[3-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(prop-2-enylamino)-N-[3-(trifluoromethyl)phenyl]propanamide
PubChem CID109012118
Molecular FormulaC13H15F3N2O
Molecular Weight272.27 g/mol
Exact Mass272.11
IUPAC Name3-(prop-2-enylamino)-N-[3-(trifluoromethyl)phenyl]propanamide
SMILESC=CCNCCC(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H15F3N2O/c1-2-7-17-8-6-12(19)18-11-5-3-4-10(9-11)13(14,15)16/h2-5,9,17H,1,6-8H2,(H,18,19)
InChIKeyIMADCYVGTZHKKQ-UHFFFAOYSA-N
XLogP2.81
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.27
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis[3-(trifluoromethyl)phenyl]hexanediamide
CID 5058568
N-(3-chlorophenyl)-3-(prop-2-enylamino)propanamide
CID 109012094
N-(3-chlorophenyl)-3-[3-(trifluoromethyl)anilino]propanamide
CID 109037972
3-[(2-chlorophenyl)methylamino]-N-[3-(trifluoromethyl)phenyl]propanamide
CID 109021574
3-(3-fluoroanilino)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 109040733
1-but-3-enyl-3-[3-(trifluoromethyl)phenyl]urea
CID 113466196
N-[3-(trifluoromethyl)phenyl]hexanamide
CID 4609508
6-oxo-N-[3-(trifluoromethyl)phenyl]heptanamide
CID 12857135
3-[3-oxo-3-[3-(trifluoromethyl)anilino]propyl]sulfanyl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 3619896
N'-[3-(trifluoromethyl)phenyl]-N-[4-(trifluoromethyl)phenyl]propanediamide
CID 108956063
3-(diethylamino)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 109030749
CID 89006052
CID 89006052

Frequently Asked Questions

What is the IUPAC name of 3-(prop-2-enylamino)-N-[3-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 3-(prop-2-enylamino)-N-[3-(trifluoromethyl)phenyl]propanamide (CID 109012118) is 3-(prop-2-enylamino)-N-[3-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 3-(prop-2-enylamino)-N-[3-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 3-(prop-2-enylamino)-N-[3-(trifluoromethyl)phenyl]propanamide is C=CCNCCC(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-(prop-2-enylamino)-N-[3-(trifluoromethyl)phenyl]propanamide?
The InChIKey is IMADCYVGTZHKKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O/c1-2-7-17-8-6-12(19)18-11-5-3-4-10(9-11)13(14,15)16/h2-5,9,17H,1,6-8H2,(H,18,19).
What are the key properties of 3-(prop-2-enylamino)-N-[3-(trifluoromethyl)phenyl]propanamide?
3-(prop-2-enylamino)-N-[3-(trifluoromethyl)phenyl]propanamide has a molecular weight of 272.27 g/mol, XLogP of 2.81, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(prop-2-enylamino)-N-[3-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 109012118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).