(3S,4R)-3-amino-4-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]azetidin-2-one

C16H14ClFN2O — CID 124504340

IUPAC(3S,4R)-3-amino-4-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]azetidin-2-one
SMILESN[C@@H]1C(=O)N(Cc2ccc(F)cc2)[C@@H]1c1ccc(Cl)cc1
InChIInChI=1S/C16H14ClFN2O/c17-12-5-3-11(4-6-12)15-14(19)16(21)20(15)9-10-1-7-13(18)8-2-10/h1-8,14-15H,9,19H2/t14-,15+/m0/s1
InChIKeyMVHMVQCVLYJDBR-LSDHHAIUSA-N
MW304.75 g/mol
LogP2.89
Rot. Bonds3

About (3S,4R)-3-amino-4-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]azetidin-2-one

(3S,4R)-3-amino-4-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]azetidin-2-one (PubChem CID 124504340) has the molecular formula C16H14ClFN2O and a molecular weight of 304.75 g/mol. Its IUPAC name is (3S,4R)-3-amino-4-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]azetidin-2-one.

Molecular Properties

Compound Name(3S,4R)-3-amino-4-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]azetidin-2-one
PubChem CID124504340
Molecular FormulaC16H14ClFN2O
Molecular Weight304.75 g/mol
Exact Mass304.08
IUPAC Name(3S,4R)-3-amino-4-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]azetidin-2-one
SMILESN[C@@H]1C(=O)N(Cc2ccc(F)cc2)[C@@H]1c1ccc(Cl)cc1
InChIInChI=1S/C16H14ClFN2O/c17-12-5-3-11(4-6-12)15-14(19)16(21)20(15)9-10-1-7-13(18)8-2-10/h1-8,14-15H,9,19H2/t14-,15+/m0/s1
InChIKeyMVHMVQCVLYJDBR-LSDHHAIUSA-N
XLogP2.89
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.75
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-4-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]azetidin-2-one
CID 102537119
3-amino-1-[(4-fluorophenyl)methyl]-4-(4-methylphenyl)azetidin-2-one
CID 102537109
(3R,4S)-3-amino-4-(4-bromophenyl)-1-[(4-fluorophenyl)methyl]azetidin-2-one
CID 124504311
(3S,4S)-3-amino-1-benzyl-4-phenylazetidin-2-one
CID 40999549
(3R,4R)-3-amino-4-(4-chlorophenyl)-1-methylazetidin-2-one
CID 95733150
(3S,4R)-3-amino-1,4-bis(4-chlorophenyl)azetidin-2-one
CID 124504103
(3R,4S)-3-amino-1-benzyl-4-(2,4-dichlorophenyl)azetidin-2-one
CID 124504287
4-[(4-chlorophenyl)methyl]-1-cyclopentyl-3-(4-fluorophenyl)piperazine-2,5-dione
CID 4079089
(3S,4R)-3-amino-1-[(3,4-dimethoxyphenyl)methyl]-4-(4-methylphenyl)azetidin-2-one
CID 124503191
3-amino-4-(3,4-dimethoxyphenyl)-1-[(3,4-dimethoxyphenyl)methyl]azetidin-2-one
CID 102536846
(3R,4S)-3-amino-1-benzyl-4-(2-chlorophenyl)azetidin-2-one
CID 124504268
(2R)-1-[(4-chlorophenyl)methyl]-2-(4-fluorophenyl)-4-hydroxy-3-(4-methylphenyl)-2H-pyrrol-5-one
CID 94073298

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-amino-4-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]azetidin-2-one?
The IUPAC name of (3S,4R)-3-amino-4-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]azetidin-2-one (CID 124504340) is (3S,4R)-3-amino-4-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]azetidin-2-one.
What is the SMILES notation for (3S,4R)-3-amino-4-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]azetidin-2-one?
The canonical SMILES for (3S,4R)-3-amino-4-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]azetidin-2-one is N[C@@H]1C(=O)N(Cc2ccc(F)cc2)[C@@H]1c1ccc(Cl)cc1.
What is the InChIKey of (3S,4R)-3-amino-4-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]azetidin-2-one?
The InChIKey is MVHMVQCVLYJDBR-LSDHHAIUSA-N. The full InChI is InChI=1S/C16H14ClFN2O/c17-12-5-3-11(4-6-12)15-14(19)16(21)20(15)9-10-1-7-13(18)8-2-10/h1-8,14-15H,9,19H2/t14-,15+/m0/s1.
What are the key properties of (3S,4R)-3-amino-4-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]azetidin-2-one?
(3S,4R)-3-amino-4-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]azetidin-2-one has a molecular weight of 304.75 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-amino-4-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]azetidin-2-one is sourced from PubChem (CID 124504340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).