3-(azetidin-1-yl)-N-[(1R)-2,2,2-trifluoro-1-(3-fluorophenyl)ethyl]propanamide

C14H16F4N2O — CID 166072219

IUPAC3-(azetidin-1-yl)-N-[(1R)-2,2,2-trifluoro-1-(3-fluorophenyl)ethyl]propanamide
SMILESO=C(CCN1CCC1)N[C@H](c1cccc(F)c1)C(F)(F)F
InChIInChI=1S/C14H16F4N2O/c15-11-4-1-3-10(9-11)13(14(16,17)18)19-12(21)5-8-20-6-2-7-20/h1,3-4,9,13H,2,5-8H2,(H,19,21)/t13-/m1/s1
InChIKeySJLMKYVNCGNLKZ-CYBMUJFWSA-N
MW304.29 g/mol
LogP2.64
Rot. Bonds5

About 3-(azetidin-1-yl)-N-[(1R)-2,2,2-trifluoro-1-(3-fluorophenyl)ethyl]propanamide

3-(azetidin-1-yl)-N-[(1R)-2,2,2-trifluoro-1-(3-fluorophenyl)ethyl]propanamide (PubChem CID 166072219) has the molecular formula C14H16F4N2O and a molecular weight of 304.29 g/mol. Its IUPAC name is 3-(azetidin-1-yl)-N-[(1R)-2,2,2-trifluoro-1-(3-fluorophenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(azetidin-1-yl)-N-[(1R)-2,2,2-trifluoro-1-(3-fluorophenyl)ethyl]propanamide
PubChem CID166072219
Molecular FormulaC14H16F4N2O
Molecular Weight304.29 g/mol
Exact Mass304.12
IUPAC Name3-(azetidin-1-yl)-N-[(1R)-2,2,2-trifluoro-1-(3-fluorophenyl)ethyl]propanamide
SMILESO=C(CCN1CCC1)N[C@H](c1cccc(F)c1)C(F)(F)F
InChIInChI=1S/C14H16F4N2O/c15-11-4-1-3-10(9-11)13(14(16,17)18)19-12(21)5-8-20-6-2-7-20/h1,3-4,9,13H,2,5-8H2,(H,19,21)/t13-/m1/s1
InChIKeySJLMKYVNCGNLKZ-CYBMUJFWSA-N
XLogP2.64
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.29
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(azetidin-1-yl)-N-[(1R)-2,2,2-trifluoro-1-(3-fluorophenyl)ethyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(azetidin-1-yl)-N-[(1S)-1-(2,5-difluorophenyl)-2,2-difluoroethyl]propanamide
CID 156875475
3-(azetidin-1-yl)-N-[(1R)-1-(2,5-difluorophenyl)-2,2-difluoroethyl]propanamide
CID 166072180
N-[(1R)-2-hydroxy-1-phenylethyl]-3-pyrrolidin-1-ylpropanamide
CID 103944653
3-[3-(azepan-1-yl)propanoylamino]-3-phenylpropanoic acid
CID 53215587
3-[4-[1-(3-fluorophenyl)ethyl]piperazin-1-yl]propanoic acid
CID 65053931
3-(4-benzhydrylpiperazin-1-yl)-N-propan-2-ylpropanamide
CID 33177312
3-[4-[(3-fluorophenyl)methyl]-1,4-diazepan-1-yl]propanoic acid
CID 82323099
4-methyl-N-[(1S)-2,2,2-trifluoro-1-phenylethyl]pentanamide
CID 52652867
N-[(1S)-1-(3-fluorophenyl)ethyl]butanamide
CID 81366054
N-(3-fluorophenyl)-3-(4-hydroxypiperidin-1-yl)propanamide
CID 43037946
3-[3-(azepan-1-yl)propanoylamino]benzoic acid
CID 53215946
N-(3-fluorophenyl)-3-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)propanamide
CID 33363762

Frequently Asked Questions

What is the IUPAC name of 3-(azetidin-1-yl)-N-[(1R)-2,2,2-trifluoro-1-(3-fluorophenyl)ethyl]propanamide?
The IUPAC name of 3-(azetidin-1-yl)-N-[(1R)-2,2,2-trifluoro-1-(3-fluorophenyl)ethyl]propanamide (CID 166072219) is 3-(azetidin-1-yl)-N-[(1R)-2,2,2-trifluoro-1-(3-fluorophenyl)ethyl]propanamide.
What is the SMILES notation for 3-(azetidin-1-yl)-N-[(1R)-2,2,2-trifluoro-1-(3-fluorophenyl)ethyl]propanamide?
The canonical SMILES for 3-(azetidin-1-yl)-N-[(1R)-2,2,2-trifluoro-1-(3-fluorophenyl)ethyl]propanamide is O=C(CCN1CCC1)N[C@H](c1cccc(F)c1)C(F)(F)F.
What is the InChIKey of 3-(azetidin-1-yl)-N-[(1R)-2,2,2-trifluoro-1-(3-fluorophenyl)ethyl]propanamide?
The InChIKey is SJLMKYVNCGNLKZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H16F4N2O/c15-11-4-1-3-10(9-11)13(14(16,17)18)19-12(21)5-8-20-6-2-7-20/h1,3-4,9,13H,2,5-8H2,(H,19,21)/t13-/m1/s1.
What are the key properties of 3-(azetidin-1-yl)-N-[(1R)-2,2,2-trifluoro-1-(3-fluorophenyl)ethyl]propanamide?
3-(azetidin-1-yl)-N-[(1R)-2,2,2-trifluoro-1-(3-fluorophenyl)ethyl]propanamide has a molecular weight of 304.29 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azetidin-1-yl)-N-[(1R)-2,2,2-trifluoro-1-(3-fluorophenyl)ethyl]propanamide is sourced from PubChem (CID 166072219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).