3-[2-(4-fluorophenyl)azetidin-1-yl]-N-propan-2-ylpropanamide

C15H21FN2O — CID 91843072

IUPAC3-[2-(4-fluorophenyl)azetidin-1-yl]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCN1CCC1c1ccc(F)cc1
InChIInChI=1S/C15H21FN2O/c1-11(2)17-15(19)8-10-18-9-7-14(18)12-3-5-13(16)6-4-12/h3-6,11,14H,7-10H2,1-2H3,(H,17,19)
InChIKeyJBKYEMKVWHYYNT-UHFFFAOYSA-N
MW264.34 g/mol
LogP2.49
Rot. Bonds5

About 3-[2-(4-fluorophenyl)azetidin-1-yl]-N-propan-2-ylpropanamide

3-[2-(4-fluorophenyl)azetidin-1-yl]-N-propan-2-ylpropanamide (PubChem CID 91843072) has the molecular formula C15H21FN2O and a molecular weight of 264.34 g/mol. Its IUPAC name is 3-[2-(4-fluorophenyl)azetidin-1-yl]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-[2-(4-fluorophenyl)azetidin-1-yl]-N-propan-2-ylpropanamide
PubChem CID91843072
Molecular FormulaC15H21FN2O
Molecular Weight264.34 g/mol
Exact Mass264.16
IUPAC Name3-[2-(4-fluorophenyl)azetidin-1-yl]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCN1CCC1c1ccc(F)cc1
InChIInChI=1S/C15H21FN2O/c1-11(2)17-15(19)8-10-18-9-7-14(18)12-3-5-13(16)6-4-12/h3-6,11,14H,7-10H2,1-2H3,(H,17,19)
InChIKeyJBKYEMKVWHYYNT-UHFFFAOYSA-N
XLogP2.49
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(4-fluorophenyl)pyrrolidin-1-yl]-N-propan-2-ylacetamide
CID 172892735
3-[(2S)-2-(4-fluorophenyl)piperidin-1-yl]propanamide
CID 95715360
3-[(2S)-2-(4-fluorophenyl)piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 95894518
2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-methylacetamide
CID 47019472
3-[(2R)-2-(4-fluorophenyl)piperidin-1-yl]-N-(furan-2-ylmethyl)propanamide
CID 95120065
2-(4-fluorophenyl)-1-propylpyrrolidine
CID 102544448
2-(4-fluorophenyl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide
CID 47238327
N-cyclohexyl-2-[2-(4-fluorophenyl)azetidin-1-yl]-N-methylacetamide
CID 91837284
N-(5-amino-2-fluorophenyl)-3-[2-(4-chlorophenyl)azetidin-1-yl]propanamide
CID 71923317
3-methyl-1-[3-oxo-3-(propan-2-ylamino)propyl]pyrrolidine-2-carboxylic acid
CID 102784810
2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-prop-2-ynylacetamide
CID 51339447
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-propan-2-ylacetamide
CID 1439429

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-fluorophenyl)azetidin-1-yl]-N-propan-2-ylpropanamide?
The IUPAC name of 3-[2-(4-fluorophenyl)azetidin-1-yl]-N-propan-2-ylpropanamide (CID 91843072) is 3-[2-(4-fluorophenyl)azetidin-1-yl]-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-[2-(4-fluorophenyl)azetidin-1-yl]-N-propan-2-ylpropanamide?
The canonical SMILES for 3-[2-(4-fluorophenyl)azetidin-1-yl]-N-propan-2-ylpropanamide is CC(C)NC(=O)CCN1CCC1c1ccc(F)cc1.
What is the InChIKey of 3-[2-(4-fluorophenyl)azetidin-1-yl]-N-propan-2-ylpropanamide?
The InChIKey is JBKYEMKVWHYYNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O/c1-11(2)17-15(19)8-10-18-9-7-14(18)12-3-5-13(16)6-4-12/h3-6,11,14H,7-10H2,1-2H3,(H,17,19).
What are the key properties of 3-[2-(4-fluorophenyl)azetidin-1-yl]-N-propan-2-ylpropanamide?
3-[2-(4-fluorophenyl)azetidin-1-yl]-N-propan-2-ylpropanamide has a molecular weight of 264.34 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-fluorophenyl)azetidin-1-yl]-N-propan-2-ylpropanamide is sourced from PubChem (CID 91843072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).