3-fluoro-4-[3-[2-(2-phenylcyclopropyl)ethyl]azetidin-1-yl]-N-propan-2-ylbenzamide

C24H29FN2O — CID 148955217

IUPAC3-fluoro-4-[3-[2-(2-phenylcyclopropyl)ethyl]azetidin-1-yl]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccc(N2CC(CCC3CC3c3ccccc3)C2)c(F)c1
InChIInChI=1S/C24H29FN2O/c1-16(2)26-24(28)20-10-11-23(22(25)13-20)27-14-17(15-27)8-9-19-12-21(19)18-6-4-3-5-7-18/h3-7,10-11,13,16-17,19,21H,8-9,12,14-15H2,1-2H3,(H,26,28)
InChIKeyPQSIYCCYUAQZSE-UHFFFAOYSA-N
MW380.51 g/mol
LogP4.98
Rot. Bonds7

About 3-fluoro-4-[3-[2-(2-phenylcyclopropyl)ethyl]azetidin-1-yl]-N-propan-2-ylbenzamide

3-fluoro-4-[3-[2-(2-phenylcyclopropyl)ethyl]azetidin-1-yl]-N-propan-2-ylbenzamide (PubChem CID 148955217) has the molecular formula C24H29FN2O and a molecular weight of 380.51 g/mol. Its IUPAC name is 3-fluoro-4-[3-[2-(2-phenylcyclopropyl)ethyl]azetidin-1-yl]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name3-fluoro-4-[3-[2-(2-phenylcyclopropyl)ethyl]azetidin-1-yl]-N-propan-2-ylbenzamide
PubChem CID148955217
Molecular FormulaC24H29FN2O
Molecular Weight380.51 g/mol
Exact Mass380.23
IUPAC Name3-fluoro-4-[3-[2-(2-phenylcyclopropyl)ethyl]azetidin-1-yl]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccc(N2CC(CCC3CC3c3ccccc3)C2)c(F)c1
InChIInChI=1S/C24H29FN2O/c1-16(2)26-24(28)20-10-11-23(22(25)13-20)27-14-17(15-27)8-9-19-12-21(19)18-6-4-3-5-7-18/h3-7,10-11,13,16-17,19,21H,8-9,12,14-15H2,1-2H3,(H,26,28)
InChIKeyPQSIYCCYUAQZSE-UHFFFAOYSA-N
XLogP4.98
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.51
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[3-[2-(2-phenylcyclopropyl)ethyl]azetidin-1-yl]-N-propan-2-ylbenzamide?
The IUPAC name of 3-fluoro-4-[3-[2-(2-phenylcyclopropyl)ethyl]azetidin-1-yl]-N-propan-2-ylbenzamide (CID 148955217) is 3-fluoro-4-[3-[2-(2-phenylcyclopropyl)ethyl]azetidin-1-yl]-N-propan-2-ylbenzamide.
What is the SMILES notation for 3-fluoro-4-[3-[2-(2-phenylcyclopropyl)ethyl]azetidin-1-yl]-N-propan-2-ylbenzamide?
The canonical SMILES for 3-fluoro-4-[3-[2-(2-phenylcyclopropyl)ethyl]azetidin-1-yl]-N-propan-2-ylbenzamide is CC(C)NC(=O)c1ccc(N2CC(CCC3CC3c3ccccc3)C2)c(F)c1.
What is the InChIKey of 3-fluoro-4-[3-[2-(2-phenylcyclopropyl)ethyl]azetidin-1-yl]-N-propan-2-ylbenzamide?
The InChIKey is PQSIYCCYUAQZSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN2O/c1-16(2)26-24(28)20-10-11-23(22(25)13-20)27-14-17(15-27)8-9-19-12-21(19)18-6-4-3-5-7-18/h3-7,10-11,13,16-17,19,21H,8-9,12,14-15H2,1-2H3,(H,26,28).
What are the key properties of 3-fluoro-4-[3-[2-(2-phenylcyclopropyl)ethyl]azetidin-1-yl]-N-propan-2-ylbenzamide?
3-fluoro-4-[3-[2-(2-phenylcyclopropyl)ethyl]azetidin-1-yl]-N-propan-2-ylbenzamide has a molecular weight of 380.51 g/mol, XLogP of 4.98, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[3-[2-(2-phenylcyclopropyl)ethyl]azetidin-1-yl]-N-propan-2-ylbenzamide is sourced from PubChem (CID 148955217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).