(4R)-1-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-4-phenylazetidin-2-one

C17H15BrN2O2 — CID 94841881

IUPAC(4R)-1-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-4-phenylazetidin-2-one
SMILESCOc1ccc(Br)cc1/C=N\N1C(=O)C[C@@H]1c1ccccc1
InChIInChI=1S/C17H15BrN2O2/c1-22-16-8-7-14(18)9-13(16)11-19-20-15(10-17(20)21)12-5-3-2-4-6-12/h2-9,11,15H,10H2,1H3/b19-11-/t15-/m1/s1
InChIKeyMJMUWLPNBUSHGL-MXDDHBLUSA-N
MW359.22 g/mol
LogP3.77
Rot. Bonds4

About (4R)-1-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-4-phenylazetidin-2-one

(4R)-1-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-4-phenylazetidin-2-one (PubChem CID 94841881) has the molecular formula C17H15BrN2O2 and a molecular weight of 359.22 g/mol. Its IUPAC name is (4R)-1-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-4-phenylazetidin-2-one.

Molecular Properties

Compound Name(4R)-1-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-4-phenylazetidin-2-one
PubChem CID94841881
Molecular FormulaC17H15BrN2O2
Molecular Weight359.22 g/mol
Exact Mass358.03
IUPAC Name(4R)-1-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-4-phenylazetidin-2-one
SMILESCOc1ccc(Br)cc1/C=N\N1C(=O)C[C@@H]1c1ccccc1
InChIInChI=1S/C17H15BrN2O2/c1-22-16-8-7-14(18)9-13(16)11-19-20-15(10-17(20)21)12-5-3-2-4-6-12/h2-9,11,15H,10H2,1H3/b19-11-/t15-/m1/s1
InChIKeyMJMUWLPNBUSHGL-MXDDHBLUSA-N
XLogP3.77
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.22
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(4R)-1-[(Z)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-4-phenylazetidin-2-one
CID 136800382
(4R)-1-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-4-phenylazetidin-2-one
CID 136887294
1-(5-bromo-2-methoxyphenyl)-N-(4-phenylpiperazin-1-yl)methanimine
CID 1185111
1-(5-bromo-2-methoxyphenyl)-N-(2,6-dimethylpiperidin-1-yl)methanimine
CID 23854347
(5R)-3-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-5-ethyl-5-phenylimidazolidine-2,4-dione
CID 9296822
3-[(5-bromo-2-methoxyphenyl)methylideneamino]-1H-quinazoline-2,4-dione
CID 5217285
(E)-3-(5-bromo-2-methoxyphenyl)-1-[(2R)-4-methyl-2-phenylpiperazin-1-yl]prop-2-en-1-one
CID 37332937
N-[(5-bromo-2-methoxyphenyl)methylideneamino]-4-phenylbenzamide
CID 5066879
1-[(5-bromo-2-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168628488
2-(benzotriazol-2-yl)-N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]acetamide
CID 5454054
N-[(5-bromo-2-methoxyphenyl)methylideneamino]-2-pyrrolidin-1-ylacetamide
CID 667965
1-(5-bromo-2-methoxyphenyl)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanimine
CID 1361858

Frequently Asked Questions

What is the IUPAC name of (4R)-1-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-4-phenylazetidin-2-one?
The IUPAC name of (4R)-1-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-4-phenylazetidin-2-one (CID 94841881) is (4R)-1-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-4-phenylazetidin-2-one.
What is the SMILES notation for (4R)-1-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-4-phenylazetidin-2-one?
The canonical SMILES for (4R)-1-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-4-phenylazetidin-2-one is COc1ccc(Br)cc1/C=N\N1C(=O)C[C@@H]1c1ccccc1.
What is the InChIKey of (4R)-1-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-4-phenylazetidin-2-one?
The InChIKey is MJMUWLPNBUSHGL-MXDDHBLUSA-N. The full InChI is InChI=1S/C17H15BrN2O2/c1-22-16-8-7-14(18)9-13(16)11-19-20-15(10-17(20)21)12-5-3-2-4-6-12/h2-9,11,15H,10H2,1H3/b19-11-/t15-/m1/s1.
What are the key properties of (4R)-1-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-4-phenylazetidin-2-one?
(4R)-1-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-4-phenylazetidin-2-one has a molecular weight of 359.22 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-4-phenylazetidin-2-one is sourced from PubChem (CID 94841881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).