N-cyclopentyl-4-oxo-2-(2-phenylethenyl)-1-[4-(trifluoromethyl)phenyl]azetidine-2-carboxamide

C24H23F3N2O2 — CID 3221439

IUPACN-cyclopentyl-4-oxo-2-(2-phenylethenyl)-1-[4-(trifluoromethyl)phenyl]azetidine-2-carboxamide
SMILESO=C1CC(C=Cc2ccccc2)(C(=O)NC2CCCC2)N1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C24H23F3N2O2/c25-24(26,27)18-10-12-20(13-11-18)29-21(30)16-23(29,15-14-17-6-2-1-3-7-17)22(31)28-19-8-4-5-9-19/h1-3,6-7,10-15,19H,4-5,8-9,16H2,(H,28,31)
InChIKeyWINALLQMVAPETP-UHFFFAOYSA-N
MW428.45 g/mol
LogP4.95
Rot. Bonds5

About N-cyclopentyl-4-oxo-2-(2-phenylethenyl)-1-[4-(trifluoromethyl)phenyl]azetidine-2-carboxamide

N-cyclopentyl-4-oxo-2-(2-phenylethenyl)-1-[4-(trifluoromethyl)phenyl]azetidine-2-carboxamide (PubChem CID 3221439) has the molecular formula C24H23F3N2O2 and a molecular weight of 428.45 g/mol. Its IUPAC name is N-cyclopentyl-4-oxo-2-(2-phenylethenyl)-1-[4-(trifluoromethyl)phenyl]azetidine-2-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-4-oxo-2-(2-phenylethenyl)-1-[4-(trifluoromethyl)phenyl]azetidine-2-carboxamide
PubChem CID3221439
Molecular FormulaC24H23F3N2O2
Molecular Weight428.45 g/mol
Exact Mass428.17
IUPAC NameN-cyclopentyl-4-oxo-2-(2-phenylethenyl)-1-[4-(trifluoromethyl)phenyl]azetidine-2-carboxamide
SMILESO=C1CC(C=Cc2ccccc2)(C(=O)NC2CCCC2)N1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C24H23F3N2O2/c25-24(26,27)18-10-12-20(13-11-18)29-21(30)16-23(29,15-14-17-6-2-1-3-7-17)22(31)28-19-8-4-5-9-19/h1-3,6-7,10-15,19H,4-5,8-9,16H2,(H,28,31)
InChIKeyWINALLQMVAPETP-UHFFFAOYSA-N
XLogP4.95
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.45
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-cyclohexyl-4-oxo-2-[(E)-2-phenylethenyl]-1-(4-propan-2-ylphenyl)azetidine-2-carboxamide
CID 1468011
N-cyclohexyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-2-(2-phenylethenyl)azetidine-2-carboxamide
CID 3153762
(2S)-1-benzyl-N-cyclopentyl-4-oxo-2-[(E)-2-phenylethenyl]azetidine-2-carboxamide
CID 7709089
N-cyclohexyl-1-(4-ethylphenyl)-2-[2-(2-methoxyphenyl)ethenyl]-4-oxoazetidine-2-carboxamide
CID 3219563
(2R)-N-cyclohexyl-2-[(E)-2-(2-methoxyphenyl)ethenyl]-4-oxo-1-(4-propan-2-ylphenyl)azetidine-2-carboxamide
CID 1468017
(2R)-1-(4-methoxyphenyl)-N-(2-methylphenyl)-4-oxo-2-(2-phenylethenyl)azetidine-2-carboxamide
CID 163074482
(2R)-N-cyclopentyl-4-oxo-1-phenyl-2-thiophen-3-ylazetidine-2-carboxamide
CID 7693831
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] (E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoate
CID 7355520
(E)-N-cycloheptyl-3-phenylprop-2-enamide
CID 6027758
[2-(cyclopropylamino)-2-oxo-1-phenylethyl] (E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoate
CID 45353287
N-cyclopentyl-1-(4-fluorophenyl)-2-methyl-5-oxopyrrolidine-2-carboxamide
CID 46247039
1-phenyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]cyclobutane-1-carboxamide
CID 55765689

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-oxo-2-(2-phenylethenyl)-1-[4-(trifluoromethyl)phenyl]azetidine-2-carboxamide?
The IUPAC name of N-cyclopentyl-4-oxo-2-(2-phenylethenyl)-1-[4-(trifluoromethyl)phenyl]azetidine-2-carboxamide (CID 3221439) is N-cyclopentyl-4-oxo-2-(2-phenylethenyl)-1-[4-(trifluoromethyl)phenyl]azetidine-2-carboxamide.
What is the SMILES notation for N-cyclopentyl-4-oxo-2-(2-phenylethenyl)-1-[4-(trifluoromethyl)phenyl]azetidine-2-carboxamide?
The canonical SMILES for N-cyclopentyl-4-oxo-2-(2-phenylethenyl)-1-[4-(trifluoromethyl)phenyl]azetidine-2-carboxamide is O=C1CC(C=Cc2ccccc2)(C(=O)NC2CCCC2)N1c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-cyclopentyl-4-oxo-2-(2-phenylethenyl)-1-[4-(trifluoromethyl)phenyl]azetidine-2-carboxamide?
The InChIKey is WINALLQMVAPETP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N2O2/c25-24(26,27)18-10-12-20(13-11-18)29-21(30)16-23(29,15-14-17-6-2-1-3-7-17)22(31)28-19-8-4-5-9-19/h1-3,6-7,10-15,19H,4-5,8-9,16H2,(H,28,31).
What are the key properties of N-cyclopentyl-4-oxo-2-(2-phenylethenyl)-1-[4-(trifluoromethyl)phenyl]azetidine-2-carboxamide?
N-cyclopentyl-4-oxo-2-(2-phenylethenyl)-1-[4-(trifluoromethyl)phenyl]azetidine-2-carboxamide has a molecular weight of 428.45 g/mol, XLogP of 4.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-oxo-2-(2-phenylethenyl)-1-[4-(trifluoromethyl)phenyl]azetidine-2-carboxamide is sourced from PubChem (CID 3221439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).