2-bromo-N-[2-(5-bromo-2-fluorophenyl)-1-hydroxypropan-2-yl]-3-phenylpropanamide

C18H18Br2FNO2 — CID 58155233

IUPAC2-bromo-N-[2-(5-bromo-2-fluorophenyl)-1-hydroxypropan-2-yl]-3-phenylpropanamide
SMILESCC(CO)(NC(=O)C(Br)Cc1ccccc1)c1cc(Br)ccc1F
InChIInChI=1S/C18H18Br2FNO2/c1-18(11-23,14-10-13(19)7-8-16(14)21)22-17(24)15(20)9-12-5-3-2-4-6-12/h2-8,10,15,23H,9,11H2,1H3,(H,22,24)
InChIKeyUQWOCDVWXQGOCA-UHFFFAOYSA-N
MW459.15 g/mol
LogP3.92
Rot. Bonds6

About 2-bromo-N-[2-(5-bromo-2-fluorophenyl)-1-hydroxypropan-2-yl]-3-phenylpropanamide

2-bromo-N-[2-(5-bromo-2-fluorophenyl)-1-hydroxypropan-2-yl]-3-phenylpropanamide (PubChem CID 58155233) has the molecular formula C18H18Br2FNO2 and a molecular weight of 459.15 g/mol. Its IUPAC name is 2-bromo-N-[2-(5-bromo-2-fluorophenyl)-1-hydroxypropan-2-yl]-3-phenylpropanamide.

Molecular Properties

Compound Name2-bromo-N-[2-(5-bromo-2-fluorophenyl)-1-hydroxypropan-2-yl]-3-phenylpropanamide
PubChem CID58155233
Molecular FormulaC18H18Br2FNO2
Molecular Weight459.15 g/mol
Exact Mass456.97
IUPAC Name2-bromo-N-[2-(5-bromo-2-fluorophenyl)-1-hydroxypropan-2-yl]-3-phenylpropanamide
SMILESCC(CO)(NC(=O)C(Br)Cc1ccccc1)c1cc(Br)ccc1F
InChIInChI=1S/C18H18Br2FNO2/c1-18(11-23,14-10-13(19)7-8-16(14)21)22-17(24)15(20)9-12-5-3-2-4-6-12/h2-8,10,15,23H,9,11H2,1H3,(H,22,24)
InChIKeyUQWOCDVWXQGOCA-UHFFFAOYSA-N
XLogP3.92
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.15
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-bromo-N-[2-(5-bromo-2-fluorophenyl)-1-hydroxypropan-2-yl]-3-phenylpropanamide?
The IUPAC name of 2-bromo-N-[2-(5-bromo-2-fluorophenyl)-1-hydroxypropan-2-yl]-3-phenylpropanamide (CID 58155233) is 2-bromo-N-[2-(5-bromo-2-fluorophenyl)-1-hydroxypropan-2-yl]-3-phenylpropanamide.
What is the SMILES notation for 2-bromo-N-[2-(5-bromo-2-fluorophenyl)-1-hydroxypropan-2-yl]-3-phenylpropanamide?
The canonical SMILES for 2-bromo-N-[2-(5-bromo-2-fluorophenyl)-1-hydroxypropan-2-yl]-3-phenylpropanamide is CC(CO)(NC(=O)C(Br)Cc1ccccc1)c1cc(Br)ccc1F.
What is the InChIKey of 2-bromo-N-[2-(5-bromo-2-fluorophenyl)-1-hydroxypropan-2-yl]-3-phenylpropanamide?
The InChIKey is UQWOCDVWXQGOCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Br2FNO2/c1-18(11-23,14-10-13(19)7-8-16(14)21)22-17(24)15(20)9-12-5-3-2-4-6-12/h2-8,10,15,23H,9,11H2,1H3,(H,22,24).
What are the key properties of 2-bromo-N-[2-(5-bromo-2-fluorophenyl)-1-hydroxypropan-2-yl]-3-phenylpropanamide?
2-bromo-N-[2-(5-bromo-2-fluorophenyl)-1-hydroxypropan-2-yl]-3-phenylpropanamide has a molecular weight of 459.15 g/mol, XLogP of 3.92, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-(5-bromo-2-fluorophenyl)-1-hydroxypropan-2-yl]-3-phenylpropanamide is sourced from PubChem (CID 58155233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).