N-cyclohexyl-2-[2-(4-fluorophenyl)azetidin-1-yl]-N-methylacetamide

C18H25FN2O — CID 91837284

IUPACN-cyclohexyl-2-[2-(4-fluorophenyl)azetidin-1-yl]-N-methylacetamide
SMILESCN(C(=O)CN1CCC1c1ccc(F)cc1)C1CCCCC1
InChIInChI=1S/C18H25FN2O/c1-20(16-5-3-2-4-6-16)18(22)13-21-12-11-17(21)14-7-9-15(19)10-8-14/h7-10,16-17H,2-6,11-13H2,1H3
InChIKeyBEYMFGRFVIXCDS-UHFFFAOYSA-N
MW304.41 g/mol
LogP3.36
Rot. Bonds4

About N-cyclohexyl-2-[2-(4-fluorophenyl)azetidin-1-yl]-N-methylacetamide

N-cyclohexyl-2-[2-(4-fluorophenyl)azetidin-1-yl]-N-methylacetamide (PubChem CID 91837284) has the molecular formula C18H25FN2O and a molecular weight of 304.41 g/mol. Its IUPAC name is N-cyclohexyl-2-[2-(4-fluorophenyl)azetidin-1-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[2-(4-fluorophenyl)azetidin-1-yl]-N-methylacetamide
PubChem CID91837284
Molecular FormulaC18H25FN2O
Molecular Weight304.41 g/mol
Exact Mass304.20
IUPAC NameN-cyclohexyl-2-[2-(4-fluorophenyl)azetidin-1-yl]-N-methylacetamide
SMILESCN(C(=O)CN1CCC1c1ccc(F)cc1)C1CCCCC1
InChIInChI=1S/C18H25FN2O/c1-20(16-5-3-2-4-6-16)18(22)13-21-12-11-17(21)14-7-9-15(19)10-8-14/h7-10,16-17H,2-6,11-13H2,1H3
InChIKeyBEYMFGRFVIXCDS-UHFFFAOYSA-N
XLogP3.36
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclohexyl-2-[2-(3-fluorophenyl)piperazin-1-yl]-N-methylacetamide
CID 120756349
N-cyclopropyl-2-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-N-methylacetamide
CID 97314178
N-cyclohexyl-2-[(4S)-3-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide
CID 40789882
2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-phenyl-N-propan-2-ylacetamide
CID 47019475
N-[(3S)-1,1-dioxothiolan-3-yl]-2-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]-N-methylacetamide
CID 51673209
N-[(3S)-1,1-dioxothiolan-3-yl]-2-[(2S)-2-(4-methoxyphenyl)azepan-1-yl]-N-methylacetamide
CID 124811995
2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-methylacetamide
CID 47019472
N-cyclohexyl-2-[3-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-N-methylacetamide
CID 110093298
1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]azepane-2-carboxylic acid
CID 64564533
N-cyclohexyl-2-[2-(hydroxymethyl)piperidin-1-yl]-N-methylacetamide
CID 60684649
3-[2-(4-fluorophenyl)azetidin-1-yl]-N-propan-2-ylpropanamide
CID 91843072
1-[2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 55471178

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[2-(4-fluorophenyl)azetidin-1-yl]-N-methylacetamide?
The IUPAC name of N-cyclohexyl-2-[2-(4-fluorophenyl)azetidin-1-yl]-N-methylacetamide (CID 91837284) is N-cyclohexyl-2-[2-(4-fluorophenyl)azetidin-1-yl]-N-methylacetamide.
What is the SMILES notation for N-cyclohexyl-2-[2-(4-fluorophenyl)azetidin-1-yl]-N-methylacetamide?
The canonical SMILES for N-cyclohexyl-2-[2-(4-fluorophenyl)azetidin-1-yl]-N-methylacetamide is CN(C(=O)CN1CCC1c1ccc(F)cc1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-[2-(4-fluorophenyl)azetidin-1-yl]-N-methylacetamide?
The InChIKey is BEYMFGRFVIXCDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O/c1-20(16-5-3-2-4-6-16)18(22)13-21-12-11-17(21)14-7-9-15(19)10-8-14/h7-10,16-17H,2-6,11-13H2,1H3.
What are the key properties of N-cyclohexyl-2-[2-(4-fluorophenyl)azetidin-1-yl]-N-methylacetamide?
N-cyclohexyl-2-[2-(4-fluorophenyl)azetidin-1-yl]-N-methylacetamide has a molecular weight of 304.41 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[2-(4-fluorophenyl)azetidin-1-yl]-N-methylacetamide is sourced from PubChem (CID 91837284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).