(4S)-1-[(4-chlorophenyl)methyl]-3,3-difluoro-4-(2-methoxyphenyl)azetidin-2-one

C17H14ClF2NO2 — CID 2484106

IUPAC(4S)-1-[(4-chlorophenyl)methyl]-3,3-difluoro-4-(2-methoxyphenyl)azetidin-2-one
SMILESCOc1ccccc1[C@@H]1N(Cc2ccc(Cl)cc2)C(=O)C1(F)F
InChIInChI=1S/C17H14ClF2NO2/c1-23-14-5-3-2-4-13(14)15-17(19,20)16(22)21(15)10-11-6-8-12(18)9-7-11/h2-9,15H,10H2,1H3/t15-/m0/s1
InChIKeyYHFMDOAWUTUHEW-HNNXBMFYSA-N
MW337.75 g/mol
LogP4.07
Rot. Bonds4

About (4S)-1-[(4-chlorophenyl)methyl]-3,3-difluoro-4-(2-methoxyphenyl)azetidin-2-one

(4S)-1-[(4-chlorophenyl)methyl]-3,3-difluoro-4-(2-methoxyphenyl)azetidin-2-one (PubChem CID 2484106) has the molecular formula C17H14ClF2NO2 and a molecular weight of 337.75 g/mol. Its IUPAC name is (4S)-1-[(4-chlorophenyl)methyl]-3,3-difluoro-4-(2-methoxyphenyl)azetidin-2-one.

Molecular Properties

Compound Name(4S)-1-[(4-chlorophenyl)methyl]-3,3-difluoro-4-(2-methoxyphenyl)azetidin-2-one
PubChem CID2484106
Molecular FormulaC17H14ClF2NO2
Molecular Weight337.75 g/mol
Exact Mass337.07
IUPAC Name(4S)-1-[(4-chlorophenyl)methyl]-3,3-difluoro-4-(2-methoxyphenyl)azetidin-2-one
SMILESCOc1ccccc1[C@@H]1N(Cc2ccc(Cl)cc2)C(=O)C1(F)F
InChIInChI=1S/C17H14ClF2NO2/c1-23-14-5-3-2-4-13(14)15-17(19,20)16(22)21(15)10-11-6-8-12(18)9-7-11/h2-9,15H,10H2,1H3/t15-/m0/s1
InChIKeyYHFMDOAWUTUHEW-HNNXBMFYSA-N
XLogP4.07
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.75
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-1-[(4-chlorophenyl)methyl]-3,3-difluoro-4-(2-methoxyphenyl)azetidin-2-one?
The IUPAC name of (4S)-1-[(4-chlorophenyl)methyl]-3,3-difluoro-4-(2-methoxyphenyl)azetidin-2-one (CID 2484106) is (4S)-1-[(4-chlorophenyl)methyl]-3,3-difluoro-4-(2-methoxyphenyl)azetidin-2-one.
What is the SMILES notation for (4S)-1-[(4-chlorophenyl)methyl]-3,3-difluoro-4-(2-methoxyphenyl)azetidin-2-one?
The canonical SMILES for (4S)-1-[(4-chlorophenyl)methyl]-3,3-difluoro-4-(2-methoxyphenyl)azetidin-2-one is COc1ccccc1[C@@H]1N(Cc2ccc(Cl)cc2)C(=O)C1(F)F.
What is the InChIKey of (4S)-1-[(4-chlorophenyl)methyl]-3,3-difluoro-4-(2-methoxyphenyl)azetidin-2-one?
The InChIKey is YHFMDOAWUTUHEW-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H14ClF2NO2/c1-23-14-5-3-2-4-13(14)15-17(19,20)16(22)21(15)10-11-6-8-12(18)9-7-11/h2-9,15H,10H2,1H3/t15-/m0/s1.
What are the key properties of (4S)-1-[(4-chlorophenyl)methyl]-3,3-difluoro-4-(2-methoxyphenyl)azetidin-2-one?
(4S)-1-[(4-chlorophenyl)methyl]-3,3-difluoro-4-(2-methoxyphenyl)azetidin-2-one has a molecular weight of 337.75 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-[(4-chlorophenyl)methyl]-3,3-difluoro-4-(2-methoxyphenyl)azetidin-2-one is sourced from PubChem (CID 2484106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).