2-[(2R)-2-benzylazetidin-1-yl]-N-[2-(difluoromethoxy)phenyl]acetamide

C19H20F2N2O2 — CID 95788035

IUPAC2-[(2R)-2-benzylazetidin-1-yl]-N-[2-(difluoromethoxy)phenyl]acetamide
SMILESO=C(CN1CC[C@H]1Cc1ccccc1)Nc1ccccc1OC(F)F
InChIInChI=1S/C19H20F2N2O2/c20-19(21)25-17-9-5-4-8-16(17)22-18(24)13-23-11-10-15(23)12-14-6-2-1-3-7-14/h1-9,15,19H,10-13H2,(H,22,24)/t15-/m0/s1
InChIKeyVMBHSWSBRUCKDX-HNNXBMFYSA-N
MW346.38 g/mol
LogP3.54
Rot. Bonds7

About 2-[(2R)-2-benzylazetidin-1-yl]-N-[2-(difluoromethoxy)phenyl]acetamide

2-[(2R)-2-benzylazetidin-1-yl]-N-[2-(difluoromethoxy)phenyl]acetamide (PubChem CID 95788035) has the molecular formula C19H20F2N2O2 and a molecular weight of 346.38 g/mol. Its IUPAC name is 2-[(2R)-2-benzylazetidin-1-yl]-N-[2-(difluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-[(2R)-2-benzylazetidin-1-yl]-N-[2-(difluoromethoxy)phenyl]acetamide
PubChem CID95788035
Molecular FormulaC19H20F2N2O2
Molecular Weight346.38 g/mol
Exact Mass346.15
IUPAC Name2-[(2R)-2-benzylazetidin-1-yl]-N-[2-(difluoromethoxy)phenyl]acetamide
SMILESO=C(CN1CC[C@H]1Cc1ccccc1)Nc1ccccc1OC(F)F
InChIInChI=1S/C19H20F2N2O2/c20-19(21)25-17-9-5-4-8-16(17)22-18(24)13-23-11-10-15(23)12-14-6-2-1-3-7-14/h1-9,15,19H,10-13H2,(H,22,24)/t15-/m0/s1
InChIKeyVMBHSWSBRUCKDX-HNNXBMFYSA-N
XLogP3.54
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-[2-[2-(difluoromethoxy)anilino]-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 119910424
N-[2-(difluoromethoxy)phenyl]-2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide
CID 51313371
2-cyclohexyl-N-[2-(difluoromethoxy)phenyl]acetamide
CID 112793238
2-[4-[2-(butan-2-ylamino)-2-oxoethyl]piperazin-1-yl]-N-[2-(difluoromethoxy)phenyl]acetamide
CID 55565889
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] cyclopropanecarboxylate
CID 2510947
N-[2-(difluoromethoxy)phenyl]-2-pyrazol-1-ylacetamide
CID 39723759
2-[4-(2-chlorophenyl)piperazin-1-yl]-N-[2-(difluoromethoxy)phenyl]acetamide
CID 51159910
2-(2-benzylpyrrolidin-1-yl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 51339357
N-[2-(difluoromethoxy)phenyl]-2-[(5R,6R)-6-phenylmethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]acetamide
CID 129456942
2-[2-[2-(difluoromethoxy)anilino]-2-oxoethyl]sulfanylbenzoic acid
CID 5019415
N-[2-(difluoromethoxy)phenyl]-2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]acetamide
CID 47534873
N-[2-(difluoromethoxy)phenyl]-2-[(5S,6S)-6-hydroxy-1-(2-phenylethyl)-1,8-diazaspiro[4.5]decan-8-yl]acetamide
CID 110162152

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-benzylazetidin-1-yl]-N-[2-(difluoromethoxy)phenyl]acetamide?
The IUPAC name of 2-[(2R)-2-benzylazetidin-1-yl]-N-[2-(difluoromethoxy)phenyl]acetamide (CID 95788035) is 2-[(2R)-2-benzylazetidin-1-yl]-N-[2-(difluoromethoxy)phenyl]acetamide.
What is the SMILES notation for 2-[(2R)-2-benzylazetidin-1-yl]-N-[2-(difluoromethoxy)phenyl]acetamide?
The canonical SMILES for 2-[(2R)-2-benzylazetidin-1-yl]-N-[2-(difluoromethoxy)phenyl]acetamide is O=C(CN1CC[C@H]1Cc1ccccc1)Nc1ccccc1OC(F)F.
What is the InChIKey of 2-[(2R)-2-benzylazetidin-1-yl]-N-[2-(difluoromethoxy)phenyl]acetamide?
The InChIKey is VMBHSWSBRUCKDX-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H20F2N2O2/c20-19(21)25-17-9-5-4-8-16(17)22-18(24)13-23-11-10-15(23)12-14-6-2-1-3-7-14/h1-9,15,19H,10-13H2,(H,22,24)/t15-/m0/s1.
What are the key properties of 2-[(2R)-2-benzylazetidin-1-yl]-N-[2-(difluoromethoxy)phenyl]acetamide?
2-[(2R)-2-benzylazetidin-1-yl]-N-[2-(difluoromethoxy)phenyl]acetamide has a molecular weight of 346.38 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-benzylazetidin-1-yl]-N-[2-(difluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 95788035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).