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

C16H14BrFN2O — CID 124504311

IUPAC(3R,4S)-3-amino-4-(4-bromophenyl)-1-[(4-fluorophenyl)methyl]azetidin-2-one
SMILESN[C@H]1C(=O)N(Cc2ccc(F)cc2)[C@H]1c1ccc(Br)cc1
InChIInChI=1S/C16H14BrFN2O/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+/m1/s1
InChIKeyODOHJLPGNQBKOM-CABCVRRESA-N
MW349.20 g/mol
LogP3.00
Rot. Bonds3

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

(3R,4S)-3-amino-4-(4-bromophenyl)-1-[(4-fluorophenyl)methyl]azetidin-2-one (PubChem CID 124504311) has the molecular formula C16H14BrFN2O and a molecular weight of 349.20 g/mol. Its IUPAC name is (3R,4S)-3-amino-4-(4-bromophenyl)-1-[(4-fluorophenyl)methyl]azetidin-2-one.

Molecular Properties

Compound Name(3R,4S)-3-amino-4-(4-bromophenyl)-1-[(4-fluorophenyl)methyl]azetidin-2-one
PubChem CID124504311
Molecular FormulaC16H14BrFN2O
Molecular Weight349.20 g/mol
Exact Mass348.03
IUPAC Name(3R,4S)-3-amino-4-(4-bromophenyl)-1-[(4-fluorophenyl)methyl]azetidin-2-one
SMILESN[C@H]1C(=O)N(Cc2ccc(F)cc2)[C@H]1c1ccc(Br)cc1
InChIInChI=1S/C16H14BrFN2O/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+/m1/s1
InChIKeyODOHJLPGNQBKOM-CABCVRRESA-N
XLogP3.00
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.20
LogP ≤ 53.00
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
(3S,4R)-3-amino-4-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]azetidin-2-one
CID 124504340
3-amino-1-[(4-fluorophenyl)methyl]-4-(4-methylphenyl)azetidin-2-one
CID 102537109
1-benzyl-4-(4-bromophenyl)-3-phenylazetidin-2-one
CID 101419335
(3R,4R)-3-amino-4-(4-bromophenyl)-1-(3-fluorophenyl)azetidin-2-one
CID 124503749
(2R)-2-(4-bromophenyl)-1-[(4-fluorophenyl)methyl]-4-hydroxy-3-phenyl-2H-pyrrol-5-one
CID 94072981
(3S,4R)-3-amino-1-[(3,4-dimethoxyphenyl)methyl]-4-(4-methylphenyl)azetidin-2-one
CID 124503191
(3R,4R)-3-amino-1-[(3,4-dimethoxyphenyl)methyl]-4-(4-methylphenyl)azetidin-2-one
CID 124503193
3-amino-6-bromo-1-[(4-fluorophenyl)methyl]-3H-indol-2-one
CID 43255296
(3S)-3-amino-5-bromo-1-[(4-fluorophenyl)methyl]-3H-indol-2-one
CID 98081113
3-amino-4-(3,4-dimethoxyphenyl)-1-[(3,4-dimethoxyphenyl)methyl]azetidin-2-one
CID 102536846
4-(4-bromophenyl)-5-[(4-fluorophenyl)methyl]-3-(4-methylphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43856778

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-amino-4-(4-bromophenyl)-1-[(4-fluorophenyl)methyl]azetidin-2-one?
The IUPAC name of (3R,4S)-3-amino-4-(4-bromophenyl)-1-[(4-fluorophenyl)methyl]azetidin-2-one (CID 124504311) is (3R,4S)-3-amino-4-(4-bromophenyl)-1-[(4-fluorophenyl)methyl]azetidin-2-one.
What is the SMILES notation for (3R,4S)-3-amino-4-(4-bromophenyl)-1-[(4-fluorophenyl)methyl]azetidin-2-one?
The canonical SMILES for (3R,4S)-3-amino-4-(4-bromophenyl)-1-[(4-fluorophenyl)methyl]azetidin-2-one is N[C@H]1C(=O)N(Cc2ccc(F)cc2)[C@H]1c1ccc(Br)cc1.
What is the InChIKey of (3R,4S)-3-amino-4-(4-bromophenyl)-1-[(4-fluorophenyl)methyl]azetidin-2-one?
The InChIKey is ODOHJLPGNQBKOM-CABCVRRESA-N. The full InChI is InChI=1S/C16H14BrFN2O/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+/m1/s1.
What are the key properties of (3R,4S)-3-amino-4-(4-bromophenyl)-1-[(4-fluorophenyl)methyl]azetidin-2-one?
(3R,4S)-3-amino-4-(4-bromophenyl)-1-[(4-fluorophenyl)methyl]azetidin-2-one has a molecular weight of 349.20 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-amino-4-(4-bromophenyl)-1-[(4-fluorophenyl)methyl]azetidin-2-one is sourced from PubChem (CID 124504311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).