[2-[2-(bromomethyl)phenyl]-5-chlorophenyl]-(2-fluorophenyl)methanone

C20H13BrClFO — CID 12834647

IUPAC[2-[2-(bromomethyl)phenyl]-5-chlorophenyl]-(2-fluorophenyl)methanone
SMILESO=C(c1ccccc1F)c1cc(Cl)ccc1-c1ccccc1CBr
InChIInChI=1S/C20H13BrClFO/c21-12-13-5-1-2-6-15(13)16-10-9-14(22)11-18(16)20(24)17-7-3-4-8-19(17)23/h1-11H,12H2
InChIKeyAAMVMYKQDVMVMI-UHFFFAOYSA-N
MW403.68 g/mol
LogP6.27
Rot. Bonds4

About [2-[2-(bromomethyl)phenyl]-5-chlorophenyl]-(2-fluorophenyl)methanone

[2-[2-(bromomethyl)phenyl]-5-chlorophenyl]-(2-fluorophenyl)methanone (PubChem CID 12834647) has the molecular formula C20H13BrClFO and a molecular weight of 403.68 g/mol. Its IUPAC name is [2-[2-(bromomethyl)phenyl]-5-chlorophenyl]-(2-fluorophenyl)methanone.

Molecular Properties

Compound Name[2-[2-(bromomethyl)phenyl]-5-chlorophenyl]-(2-fluorophenyl)methanone
PubChem CID12834647
Molecular FormulaC20H13BrClFO
Molecular Weight403.68 g/mol
Exact Mass401.98
IUPAC Name[2-[2-(bromomethyl)phenyl]-5-chlorophenyl]-(2-fluorophenyl)methanone
SMILESO=C(c1ccccc1F)c1cc(Cl)ccc1-c1ccccc1CBr
InChIInChI=1S/C20H13BrClFO/c21-12-13-5-1-2-6-15(13)16-10-9-14(22)11-18(16)20(24)17-7-3-4-8-19(17)23/h1-11H,12H2
InChIKeyAAMVMYKQDVMVMI-UHFFFAOYSA-N
XLogP6.27
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.68
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-[2-(bromomethyl)phenyl]-5-chlorophenyl]-(2-fluorophenyl)methanone?
The IUPAC name of [2-[2-(bromomethyl)phenyl]-5-chlorophenyl]-(2-fluorophenyl)methanone (CID 12834647) is [2-[2-(bromomethyl)phenyl]-5-chlorophenyl]-(2-fluorophenyl)methanone.
What is the SMILES notation for [2-[2-(bromomethyl)phenyl]-5-chlorophenyl]-(2-fluorophenyl)methanone?
The canonical SMILES for [2-[2-(bromomethyl)phenyl]-5-chlorophenyl]-(2-fluorophenyl)methanone is O=C(c1ccccc1F)c1cc(Cl)ccc1-c1ccccc1CBr.
What is the InChIKey of [2-[2-(bromomethyl)phenyl]-5-chlorophenyl]-(2-fluorophenyl)methanone?
The InChIKey is AAMVMYKQDVMVMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13BrClFO/c21-12-13-5-1-2-6-15(13)16-10-9-14(22)11-18(16)20(24)17-7-3-4-8-19(17)23/h1-11H,12H2.
What are the key properties of [2-[2-(bromomethyl)phenyl]-5-chlorophenyl]-(2-fluorophenyl)methanone?
[2-[2-(bromomethyl)phenyl]-5-chlorophenyl]-(2-fluorophenyl)methanone has a molecular weight of 403.68 g/mol, XLogP of 6.27, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(bromomethyl)phenyl]-5-chlorophenyl]-(2-fluorophenyl)methanone is sourced from PubChem (CID 12834647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).