3-ethyl-1-[2-(4-fluorophenyl)azetidin-1-yl]pentan-1-one

C16H22FNO — CID 56864181

IUPAC3-ethyl-1-[2-(4-fluorophenyl)azetidin-1-yl]pentan-1-one
SMILESCCC(CC)CC(=O)N1CCC1c1ccc(F)cc1
InChIInChI=1S/C16H22FNO/c1-3-12(4-2)11-16(19)18-10-9-15(18)13-5-7-14(17)8-6-13/h5-8,12,15H,3-4,9-11H2,1-2H3
InChIKeyBJRVRZHWMNXWRG-UHFFFAOYSA-N
MW263.36 g/mol
LogP3.93
Rot. Bonds5

About 3-ethyl-1-[2-(4-fluorophenyl)azetidin-1-yl]pentan-1-one

3-ethyl-1-[2-(4-fluorophenyl)azetidin-1-yl]pentan-1-one (PubChem CID 56864181) has the molecular formula C16H22FNO and a molecular weight of 263.36 g/mol. Its IUPAC name is 3-ethyl-1-[2-(4-fluorophenyl)azetidin-1-yl]pentan-1-one.

Molecular Properties

Compound Name3-ethyl-1-[2-(4-fluorophenyl)azetidin-1-yl]pentan-1-one
PubChem CID56864181
Molecular FormulaC16H22FNO
Molecular Weight263.36 g/mol
Exact Mass263.17
IUPAC Name3-ethyl-1-[2-(4-fluorophenyl)azetidin-1-yl]pentan-1-one
SMILESCCC(CC)CC(=O)N1CCC1c1ccc(F)cc1
InChIInChI=1S/C16H22FNO/c1-3-12(4-2)11-16(19)18-10-9-15(18)13-5-7-14(17)8-6-13/h5-8,12,15H,3-4,9-11H2,1-2H3
InChIKeyBJRVRZHWMNXWRG-UHFFFAOYSA-N
XLogP3.93
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Tebutam
CID 92299
1-[4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydro-1H-pyrrol-1-yl]-2,2-dimethylpropan-1-one
CID 24901489
N-benzyl-N-isopropyl-3-phenylpropanamide
CID 875288
N-[(4-fluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 164851900
N-[(4-fluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide
CID 164851914
N-[(4-fluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide
CID 164851917
N-Benzyl-N-methyl-2-phenylacetamide
CID 692800
1-Benzyl-3,3-diethylazetidine-2,4-dione
CID 24823606
1-[4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydro-1H-pyrrol-1-yl]ethan-1-one
CID 10357373
2-(4-fluorophenyl)-N,N-dipropylacetamide
CID 1121963
N-benzyl-N-methyl-3-phenylpropanamide
CID 670103
N-(4-fluorobenzyl)pentanamide
CID 1741622

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[2-(4-fluorophenyl)azetidin-1-yl]pentan-1-one?
The IUPAC name of 3-ethyl-1-[2-(4-fluorophenyl)azetidin-1-yl]pentan-1-one (CID 56864181) is 3-ethyl-1-[2-(4-fluorophenyl)azetidin-1-yl]pentan-1-one.
What is the SMILES notation for 3-ethyl-1-[2-(4-fluorophenyl)azetidin-1-yl]pentan-1-one?
The canonical SMILES for 3-ethyl-1-[2-(4-fluorophenyl)azetidin-1-yl]pentan-1-one is CCC(CC)CC(=O)N1CCC1c1ccc(F)cc1.
What is the InChIKey of 3-ethyl-1-[2-(4-fluorophenyl)azetidin-1-yl]pentan-1-one?
The InChIKey is BJRVRZHWMNXWRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO/c1-3-12(4-2)11-16(19)18-10-9-15(18)13-5-7-14(17)8-6-13/h5-8,12,15H,3-4,9-11H2,1-2H3.
What are the key properties of 3-ethyl-1-[2-(4-fluorophenyl)azetidin-1-yl]pentan-1-one?
3-ethyl-1-[2-(4-fluorophenyl)azetidin-1-yl]pentan-1-one has a molecular weight of 263.36 g/mol, XLogP of 3.93, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[2-(4-fluorophenyl)azetidin-1-yl]pentan-1-one is sourced from PubChem (CID 56864181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).