N-[[1-(4-cyano-2-fluorophenyl)azetidin-3-yl]methyl]-N-(2-phenylcyclopropyl)acetamide

C22H22FN3O — CID 118298761

IUPACN-[[1-(4-cyano-2-fluorophenyl)azetidin-3-yl]methyl]-N-(2-phenylcyclopropyl)acetamide
SMILESCC(=O)N(CC1CN(c2ccc(C#N)cc2F)C1)C1CC1c1ccccc1
InChIInChI=1S/C22H22FN3O/c1-15(27)26(22-10-19(22)18-5-3-2-4-6-18)14-17-12-25(13-17)21-8-7-16(11-24)9-20(21)23/h2-9,17,19,22H,10,12-14H2,1H3
InChIKeyXWEUGLYBHYIADK-UHFFFAOYSA-N
MW363.44 g/mol
LogP3.54
Rot. Bonds5

About N-[[1-(4-cyano-2-fluorophenyl)azetidin-3-yl]methyl]-N-(2-phenylcyclopropyl)acetamide

N-[[1-(4-cyano-2-fluorophenyl)azetidin-3-yl]methyl]-N-(2-phenylcyclopropyl)acetamide (PubChem CID 118298761) has the molecular formula C22H22FN3O and a molecular weight of 363.44 g/mol. Its IUPAC name is N-[[1-(4-cyano-2-fluorophenyl)azetidin-3-yl]methyl]-N-(2-phenylcyclopropyl)acetamide.

Molecular Properties

Compound NameN-[[1-(4-cyano-2-fluorophenyl)azetidin-3-yl]methyl]-N-(2-phenylcyclopropyl)acetamide
PubChem CID118298761
Molecular FormulaC22H22FN3O
Molecular Weight363.44 g/mol
Exact Mass363.17
IUPAC NameN-[[1-(4-cyano-2-fluorophenyl)azetidin-3-yl]methyl]-N-(2-phenylcyclopropyl)acetamide
SMILESCC(=O)N(CC1CN(c2ccc(C#N)cc2F)C1)C1CC1c1ccccc1
InChIInChI=1S/C22H22FN3O/c1-15(27)26(22-10-19(22)18-5-3-2-4-6-18)14-17-12-25(13-17)21-8-7-16(11-24)9-20(21)23/h2-9,17,19,22H,10,12-14H2,1H3
InChIKeyXWEUGLYBHYIADK-UHFFFAOYSA-N
XLogP3.54
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-cyano-2-fluorophenyl)azetidin-3-yl]methyl]-N-(2-phenylcyclopropyl)acetamide?
The IUPAC name of N-[[1-(4-cyano-2-fluorophenyl)azetidin-3-yl]methyl]-N-(2-phenylcyclopropyl)acetamide (CID 118298761) is N-[[1-(4-cyano-2-fluorophenyl)azetidin-3-yl]methyl]-N-(2-phenylcyclopropyl)acetamide.
What is the SMILES notation for N-[[1-(4-cyano-2-fluorophenyl)azetidin-3-yl]methyl]-N-(2-phenylcyclopropyl)acetamide?
The canonical SMILES for N-[[1-(4-cyano-2-fluorophenyl)azetidin-3-yl]methyl]-N-(2-phenylcyclopropyl)acetamide is CC(=O)N(CC1CN(c2ccc(C#N)cc2F)C1)C1CC1c1ccccc1.
What is the InChIKey of N-[[1-(4-cyano-2-fluorophenyl)azetidin-3-yl]methyl]-N-(2-phenylcyclopropyl)acetamide?
The InChIKey is XWEUGLYBHYIADK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O/c1-15(27)26(22-10-19(22)18-5-3-2-4-6-18)14-17-12-25(13-17)21-8-7-16(11-24)9-20(21)23/h2-9,17,19,22H,10,12-14H2,1H3.
What are the key properties of N-[[1-(4-cyano-2-fluorophenyl)azetidin-3-yl]methyl]-N-(2-phenylcyclopropyl)acetamide?
N-[[1-(4-cyano-2-fluorophenyl)azetidin-3-yl]methyl]-N-(2-phenylcyclopropyl)acetamide has a molecular weight of 363.44 g/mol, XLogP of 3.54, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-cyano-2-fluorophenyl)azetidin-3-yl]methyl]-N-(2-phenylcyclopropyl)acetamide is sourced from PubChem (CID 118298761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).