2-(azetidin-3-yl)-N-[2-(difluoromethoxy)phenyl]propanamide

C13H16F2N2O2 — CID 116674736

IUPAC2-(azetidin-3-yl)-N-[2-(difluoromethoxy)phenyl]propanamide
SMILESCC(C(=O)Nc1ccccc1OC(F)F)C1CNC1
InChIInChI=1S/C13H16F2N2O2/c1-8(9-6-16-7-9)12(18)17-10-4-2-3-5-11(10)19-13(14)15/h2-5,8-9,13,16H,6-7H2,1H3,(H,17,18)
InChIKeyHCXRKQSFMMEKTO-UHFFFAOYSA-N
MW270.28 g/mol
LogP2.08
Rot. Bonds5

About 2-(azetidin-3-yl)-N-[2-(difluoromethoxy)phenyl]propanamide

2-(azetidin-3-yl)-N-[2-(difluoromethoxy)phenyl]propanamide (PubChem CID 116674736) has the molecular formula C13H16F2N2O2 and a molecular weight of 270.28 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-N-[2-(difluoromethoxy)phenyl]propanamide.

Molecular Properties

Compound Name2-(azetidin-3-yl)-N-[2-(difluoromethoxy)phenyl]propanamide
PubChem CID116674736
Molecular FormulaC13H16F2N2O2
Molecular Weight270.28 g/mol
Exact Mass270.12
IUPAC Name2-(azetidin-3-yl)-N-[2-(difluoromethoxy)phenyl]propanamide
SMILESCC(C(=O)Nc1ccccc1OC(F)F)C1CNC1
InChIInChI=1S/C13H16F2N2O2/c1-8(9-6-16-7-9)12(18)17-10-4-2-3-5-11(10)19-13(14)15/h2-5,8-9,13,16H,6-7H2,1H3,(H,17,18)
InChIKeyHCXRKQSFMMEKTO-UHFFFAOYSA-N
XLogP2.08
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(azetidin-3-yl)-N-[2-(trifluoromethoxy)phenyl]propanamide
CID 116674418
2-(azetidin-3-yl)-N-(2-propoxyphenyl)propanamide
CID 116675260
2-(azetidin-3-yl)-N-(2-iodophenyl)propanamide
CID 116674715
(2S)-2-amino-N-[2-(difluoromethoxy)phenyl]propanamide
CID 61147422
2-amino-N-[2-(difluoromethoxy)phenyl]-3-methylbutanamide
CID 43146665
2-(cyclopropylmethoxy)-N-[2-(difluoromethoxy)phenyl]propanamide
CID 86846916
N-[2-(difluoromethoxy)phenyl]-2-(4-hydroxypiperidin-1-yl)propanamide
CID 51243860
2-chloro-N-[[2-(difluoromethoxy)phenyl]carbamoyl]propanamide
CID 43329114
4-methyl-N-(2-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 55229769
methyl 2-[2-(azetidin-3-yl)propanoylamino]-4-fluorobenzoate
CID 116675861
N-[2-(difluoromethoxy)phenyl]-5-methylpiperazine-2-carboxamide
CID 63102211
1-[(2S)-1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl]piperidin-1-ium-4-carboxamide
CID 9443694

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-N-[2-(difluoromethoxy)phenyl]propanamide?
The IUPAC name of 2-(azetidin-3-yl)-N-[2-(difluoromethoxy)phenyl]propanamide (CID 116674736) is 2-(azetidin-3-yl)-N-[2-(difluoromethoxy)phenyl]propanamide.
What is the SMILES notation for 2-(azetidin-3-yl)-N-[2-(difluoromethoxy)phenyl]propanamide?
The canonical SMILES for 2-(azetidin-3-yl)-N-[2-(difluoromethoxy)phenyl]propanamide is CC(C(=O)Nc1ccccc1OC(F)F)C1CNC1.
What is the InChIKey of 2-(azetidin-3-yl)-N-[2-(difluoromethoxy)phenyl]propanamide?
The InChIKey is HCXRKQSFMMEKTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O2/c1-8(9-6-16-7-9)12(18)17-10-4-2-3-5-11(10)19-13(14)15/h2-5,8-9,13,16H,6-7H2,1H3,(H,17,18).
What are the key properties of 2-(azetidin-3-yl)-N-[2-(difluoromethoxy)phenyl]propanamide?
2-(azetidin-3-yl)-N-[2-(difluoromethoxy)phenyl]propanamide has a molecular weight of 270.28 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-N-[2-(difluoromethoxy)phenyl]propanamide is sourced from PubChem (CID 116674736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).