[2-(azetidin-3-yloxy)-4-bromophenyl]-(3-chlorophenyl)methanone

C16H13BrClNO2 — CID 58405141

IUPAC[2-(azetidin-3-yloxy)-4-bromophenyl]-(3-chlorophenyl)methanone
SMILESO=C(c1cccc(Cl)c1)c1ccc(Br)cc1OC1CNC1
InChIInChI=1S/C16H13BrClNO2/c17-11-4-5-14(15(7-11)21-13-8-19-9-13)16(20)10-2-1-3-12(18)6-10/h1-7,13,19H,8-9H2
InChIKeyREDIQGJYLUHNBB-UHFFFAOYSA-N
MW366.64 g/mol
LogP3.68
Rot. Bonds4

About [2-(azetidin-3-yloxy)-4-bromophenyl]-(3-chlorophenyl)methanone

[2-(azetidin-3-yloxy)-4-bromophenyl]-(3-chlorophenyl)methanone (PubChem CID 58405141) has the molecular formula C16H13BrClNO2 and a molecular weight of 366.64 g/mol. Its IUPAC name is [2-(azetidin-3-yloxy)-4-bromophenyl]-(3-chlorophenyl)methanone.

Molecular Properties

Compound Name[2-(azetidin-3-yloxy)-4-bromophenyl]-(3-chlorophenyl)methanone
PubChem CID58405141
Molecular FormulaC16H13BrClNO2
Molecular Weight366.64 g/mol
Exact Mass364.98
IUPAC Name[2-(azetidin-3-yloxy)-4-bromophenyl]-(3-chlorophenyl)methanone
SMILESO=C(c1cccc(Cl)c1)c1ccc(Br)cc1OC1CNC1
InChIInChI=1S/C16H13BrClNO2/c17-11-4-5-14(15(7-11)21-13-8-19-9-13)16(20)10-2-1-3-12(18)6-10/h1-7,13,19H,8-9H2
InChIKeyREDIQGJYLUHNBB-UHFFFAOYSA-N
XLogP3.68
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.64
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-amino-4-bromophenyl)-(3-chlorophenyl)methanone
CID 116591876
(5-bromo-2-ethoxyphenyl)-(3-chlorophenyl)methanone
CID 43311306
4-bromo-2-cyclopentyloxybenzoic acid
CID 60763632
3-(4-bromo-2-methylphenoxy)azetidine
CID 24902314
(5-chloro-2-fluorophenyl)-(3-chlorophenyl)methanone
CID 112694065
3-(4-bromo-2-phenylphenoxy)azetidine
CID 56777510
1-(4-bromo-2-cyclopentyloxyphenyl)ethanone
CID 70085923
3-[5-bromo-2-(3-fluorophenoxy)phenoxy]azetidine
CID 46215135
(6-bromo-3-methyl-1-benzofuran-2-yl)-(3-chlorophenyl)methanone
CID 102949391
4-bromo-2-(1-methylpiperidin-4-yl)oxybenzoic acid
CID 114907573
(3-chlorophenyl)-(4,5-dichloro-2-hydroxyphenyl)methanone
CID 70624009
1-[4-bromo-2-(3,3,5-trimethylcyclohexyl)oxyphenyl]ethanone
CID 82971444

Frequently Asked Questions

What is the IUPAC name of [2-(azetidin-3-yloxy)-4-bromophenyl]-(3-chlorophenyl)methanone?
The IUPAC name of [2-(azetidin-3-yloxy)-4-bromophenyl]-(3-chlorophenyl)methanone (CID 58405141) is [2-(azetidin-3-yloxy)-4-bromophenyl]-(3-chlorophenyl)methanone.
What is the SMILES notation for [2-(azetidin-3-yloxy)-4-bromophenyl]-(3-chlorophenyl)methanone?
The canonical SMILES for [2-(azetidin-3-yloxy)-4-bromophenyl]-(3-chlorophenyl)methanone is O=C(c1cccc(Cl)c1)c1ccc(Br)cc1OC1CNC1.
What is the InChIKey of [2-(azetidin-3-yloxy)-4-bromophenyl]-(3-chlorophenyl)methanone?
The InChIKey is REDIQGJYLUHNBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrClNO2/c17-11-4-5-14(15(7-11)21-13-8-19-9-13)16(20)10-2-1-3-12(18)6-10/h1-7,13,19H,8-9H2.
What are the key properties of [2-(azetidin-3-yloxy)-4-bromophenyl]-(3-chlorophenyl)methanone?
[2-(azetidin-3-yloxy)-4-bromophenyl]-(3-chlorophenyl)methanone has a molecular weight of 366.64 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(azetidin-3-yloxy)-4-bromophenyl]-(3-chlorophenyl)methanone is sourced from PubChem (CID 58405141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).