2-[(2S)-2-(4-chlorophenyl)azetidin-1-yl]-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide

C20H21ClF2N2O2 — CID 96522228

IUPAC2-[(2S)-2-(4-chlorophenyl)azetidin-1-yl]-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide
SMILESO=C(CN1CC[C@H]1c1ccc(Cl)cc1)NCCc1ccc(OC(F)F)cc1
InChIInChI=1S/C20H21ClF2N2O2/c21-16-5-3-15(4-6-16)18-10-12-25(18)13-19(26)24-11-9-14-1-7-17(8-2-14)27-20(22)23/h1-8,18,20H,9-13H2,(H,24,26)/t18-/m0/s1
InChIKeyXXIOHKBFUBRULE-SFHVURJKSA-N
MW394.85 g/mol
LogP4.05
Rot. Bonds8

About 2-[(2S)-2-(4-chlorophenyl)azetidin-1-yl]-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide

2-[(2S)-2-(4-chlorophenyl)azetidin-1-yl]-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide (PubChem CID 96522228) has the molecular formula C20H21ClF2N2O2 and a molecular weight of 394.85 g/mol. Its IUPAC name is 2-[(2S)-2-(4-chlorophenyl)azetidin-1-yl]-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide.

Molecular Properties

Compound Name2-[(2S)-2-(4-chlorophenyl)azetidin-1-yl]-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide
PubChem CID96522228
Molecular FormulaC20H21ClF2N2O2
Molecular Weight394.85 g/mol
Exact Mass394.13
IUPAC Name2-[(2S)-2-(4-chlorophenyl)azetidin-1-yl]-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide
SMILESO=C(CN1CC[C@H]1c1ccc(Cl)cc1)NCCc1ccc(OC(F)F)cc1
InChIInChI=1S/C20H21ClF2N2O2/c21-16-5-3-15(4-6-16)18-10-12-25(18)13-19(26)24-11-9-14-1-7-17(8-2-14)27-20(22)23/h1-8,18,20H,9-13H2,(H,24,26)/t18-/m0/s1
InChIKeyXXIOHKBFUBRULE-SFHVURJKSA-N
XLogP4.05
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.85
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(4-chlorophenyl)azetidin-1-yl]-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide
CID 71866137
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-(4-methyl-2-phenylpiperazin-1-yl)acetamide
CID 112801951
2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide
CID 30724972
N-[2-(4-chlorophenyl)ethyl]-4-(difluoromethoxy)benzamide
CID 27646459
2-(2,4-dichlorophenyl)-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide
CID 18267777
[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl] 2-(4-chlorophenoxy)acetate
CID 9229445
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide
CID 120774997
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide
CID 8637595
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide;hydrochloride
CID 120774996
2-amino-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide
CID 60672445
2-[cyclopropyl-[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl]amino]propanoic acid
CID 122100783
2-(2-aminoethoxy)-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide
CID 79473444

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-(4-chlorophenyl)azetidin-1-yl]-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide?
The IUPAC name of 2-[(2S)-2-(4-chlorophenyl)azetidin-1-yl]-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide (CID 96522228) is 2-[(2S)-2-(4-chlorophenyl)azetidin-1-yl]-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide.
What is the SMILES notation for 2-[(2S)-2-(4-chlorophenyl)azetidin-1-yl]-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide?
The canonical SMILES for 2-[(2S)-2-(4-chlorophenyl)azetidin-1-yl]-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide is O=C(CN1CC[C@H]1c1ccc(Cl)cc1)NCCc1ccc(OC(F)F)cc1.
What is the InChIKey of 2-[(2S)-2-(4-chlorophenyl)azetidin-1-yl]-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide?
The InChIKey is XXIOHKBFUBRULE-SFHVURJKSA-N. The full InChI is InChI=1S/C20H21ClF2N2O2/c21-16-5-3-15(4-6-16)18-10-12-25(18)13-19(26)24-11-9-14-1-7-17(8-2-14)27-20(22)23/h1-8,18,20H,9-13H2,(H,24,26)/t18-/m0/s1.
What are the key properties of 2-[(2S)-2-(4-chlorophenyl)azetidin-1-yl]-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide?
2-[(2S)-2-(4-chlorophenyl)azetidin-1-yl]-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide has a molecular weight of 394.85 g/mol, XLogP of 4.05, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-(4-chlorophenyl)azetidin-1-yl]-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide is sourced from PubChem (CID 96522228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).