2-(1-prop-2-enoylazetidin-3-yl)-N-[4-(trifluoromethyl)phenyl]acetamide

C15H15F3N2O2 — CID 166420285

IUPAC2-(1-prop-2-enoylazetidin-3-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESC=CC(=O)N1CC(CC(=O)Nc2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C15H15F3N2O2/c1-2-14(22)20-8-10(9-20)7-13(21)19-12-5-3-11(4-6-12)15(16,17)18/h2-6,10H,1,7-9H2,(H,19,21)
InChIKeyHVUSKXUUZHFSOC-UHFFFAOYSA-N
MW312.29 g/mol
LogP2.68
Rot. Bonds4

About 2-(1-prop-2-enoylazetidin-3-yl)-N-[4-(trifluoromethyl)phenyl]acetamide

2-(1-prop-2-enoylazetidin-3-yl)-N-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 166420285) has the molecular formula C15H15F3N2O2 and a molecular weight of 312.29 g/mol. Its IUPAC name is 2-(1-prop-2-enoylazetidin-3-yl)-N-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(1-prop-2-enoylazetidin-3-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID166420285
Molecular FormulaC15H15F3N2O2
Molecular Weight312.29 g/mol
Exact Mass312.11
IUPAC Name2-(1-prop-2-enoylazetidin-3-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESC=CC(=O)N1CC(CC(=O)Nc2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C15H15F3N2O2/c1-2-14(22)20-8-10(9-20)7-13(21)19-12-5-3-11(4-6-12)15(16,17)18/h2-6,10H,1,7-9H2,(H,19,21)
InChIKeyHVUSKXUUZHFSOC-UHFFFAOYSA-N
XLogP2.68
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.29
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-(oxetan-3-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 84575366
1-[3-[2-[4-(trifluoromethyl)phenyl]ethyl]pyrrolidin-1-yl]prop-2-en-1-one
CID 167535153
N-[4-(4-cyanophenoxy)phenyl]-2-[(3S)-1-prop-2-enoylpyrrolidin-3-yl]acetamide
CID 172889642
N-[4-methoxy-3-[(2-methoxyphenyl)carbamoylamino]phenyl]-2-(1-prop-2-enoylazetidin-3-yl)acetamide
CID 166421513
2-(1,1-dioxothiolan-3-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 17463040
1-[3-ethyl-4-[(Z)-2-[4-(trifluoromethyl)phenyl]ethenyl]pyrrolidin-1-yl]prop-2-en-1-one
CID 171092991
1-[(3S)-3-[[4-(trifluoromethyl)phenyl]methylamino]piperidin-1-yl]prop-2-en-1-one
CID 155353379
2-(4-aminopiperidin-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119907372
ethyl 4-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]piperazine-1-carboxylate
CID 8932175
2-(propylamino)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 60648393
1-[(3aR,7aR)-1-[[4-(trifluoromethyl)phenyl]methyl]-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridin-6-yl]prop-2-en-1-one
CID 155344442
N-(4-tert-butylphenyl)-2-(1-methylpiperidin-4-yl)acetamide
CID 110754677

Frequently Asked Questions

What is the IUPAC name of 2-(1-prop-2-enoylazetidin-3-yl)-N-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(1-prop-2-enoylazetidin-3-yl)-N-[4-(trifluoromethyl)phenyl]acetamide (CID 166420285) is 2-(1-prop-2-enoylazetidin-3-yl)-N-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(1-prop-2-enoylazetidin-3-yl)-N-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(1-prop-2-enoylazetidin-3-yl)-N-[4-(trifluoromethyl)phenyl]acetamide is C=CC(=O)N1CC(CC(=O)Nc2ccc(C(F)(F)F)cc2)C1.
What is the InChIKey of 2-(1-prop-2-enoylazetidin-3-yl)-N-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is HVUSKXUUZHFSOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2O2/c1-2-14(22)20-8-10(9-20)7-13(21)19-12-5-3-11(4-6-12)15(16,17)18/h2-6,10H,1,7-9H2,(H,19,21).
What are the key properties of 2-(1-prop-2-enoylazetidin-3-yl)-N-[4-(trifluoromethyl)phenyl]acetamide?
2-(1-prop-2-enoylazetidin-3-yl)-N-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 312.29 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-prop-2-enoylazetidin-3-yl)-N-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 166420285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).