N-[2-(azetidin-1-yl)cyclononyl]-2-(3,4-difluorophenyl)-N-methylacetamide

C21H30F2N2O — CID 21328090

IUPACN-[2-(azetidin-1-yl)cyclononyl]-2-(3,4-difluorophenyl)-N-methylacetamide
SMILESCN(C(=O)Cc1ccc(F)c(F)c1)C1CCCCCCCC1N1CCC1
InChIInChI=1S/C21H30F2N2O/c1-24(21(26)15-16-10-11-17(22)18(23)14-16)19-8-5-3-2-4-6-9-20(19)25-12-7-13-25/h10-11,14,19-20H,2-9,12-13,15H2,1H3
InChIKeySGXYCOYODQFCEW-UHFFFAOYSA-N
MW364.48 g/mol
LogP4.15
Rot. Bonds4

About N-[2-(azetidin-1-yl)cyclononyl]-2-(3,4-difluorophenyl)-N-methylacetamide

N-[2-(azetidin-1-yl)cyclononyl]-2-(3,4-difluorophenyl)-N-methylacetamide (PubChem CID 21328090) has the molecular formula C21H30F2N2O and a molecular weight of 364.48 g/mol. Its IUPAC name is N-[2-(azetidin-1-yl)cyclononyl]-2-(3,4-difluorophenyl)-N-methylacetamide.

Molecular Properties

Compound NameN-[2-(azetidin-1-yl)cyclononyl]-2-(3,4-difluorophenyl)-N-methylacetamide
PubChem CID21328090
Molecular FormulaC21H30F2N2O
Molecular Weight364.48 g/mol
Exact Mass364.23
IUPAC NameN-[2-(azetidin-1-yl)cyclononyl]-2-(3,4-difluorophenyl)-N-methylacetamide
SMILESCN(C(=O)Cc1ccc(F)c(F)c1)C1CCCCCCCC1N1CCC1
InChIInChI=1S/C21H30F2N2O/c1-24(21(26)15-16-10-11-17(22)18(23)14-16)19-8-5-3-2-4-6-9-20(19)25-12-7-13-25/h10-11,14,19-20H,2-9,12-13,15H2,1H3
InChIKeySGXYCOYODQFCEW-UHFFFAOYSA-N
XLogP4.15
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.48
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(azetidin-1-yl)cyclononyl]-2-(3,4-difluorophenyl)-N-methylacetamide?
The IUPAC name of N-[2-(azetidin-1-yl)cyclononyl]-2-(3,4-difluorophenyl)-N-methylacetamide (CID 21328090) is N-[2-(azetidin-1-yl)cyclononyl]-2-(3,4-difluorophenyl)-N-methylacetamide.
What is the SMILES notation for N-[2-(azetidin-1-yl)cyclononyl]-2-(3,4-difluorophenyl)-N-methylacetamide?
The canonical SMILES for N-[2-(azetidin-1-yl)cyclononyl]-2-(3,4-difluorophenyl)-N-methylacetamide is CN(C(=O)Cc1ccc(F)c(F)c1)C1CCCCCCCC1N1CCC1.
What is the InChIKey of N-[2-(azetidin-1-yl)cyclononyl]-2-(3,4-difluorophenyl)-N-methylacetamide?
The InChIKey is SGXYCOYODQFCEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30F2N2O/c1-24(21(26)15-16-10-11-17(22)18(23)14-16)19-8-5-3-2-4-6-9-20(19)25-12-7-13-25/h10-11,14,19-20H,2-9,12-13,15H2,1H3.
What are the key properties of N-[2-(azetidin-1-yl)cyclononyl]-2-(3,4-difluorophenyl)-N-methylacetamide?
N-[2-(azetidin-1-yl)cyclononyl]-2-(3,4-difluorophenyl)-N-methylacetamide has a molecular weight of 364.48 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azetidin-1-yl)cyclononyl]-2-(3,4-difluorophenyl)-N-methylacetamide is sourced from PubChem (CID 21328090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).