N-benzyl-2-bromo-N-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]acetamide

C17H17BrFNO2 — CID 67352672

IUPACN-benzyl-2-bromo-N-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]acetamide
SMILESO=C(CBr)N(Cc1ccccc1)C[C@H](O)c1ccc(F)cc1
InChIInChI=1S/C17H17BrFNO2/c18-10-17(22)20(11-13-4-2-1-3-5-13)12-16(21)14-6-8-15(19)9-7-14/h1-9,16,21H,10-12H2/t16-/m0/s1
InChIKeyIIBADHBSINGYBY-INIZCTEOSA-N
MW366.23 g/mol
LogP3.28
Rot. Bonds6

About N-benzyl-2-bromo-N-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]acetamide

N-benzyl-2-bromo-N-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]acetamide (PubChem CID 67352672) has the molecular formula C17H17BrFNO2 and a molecular weight of 366.23 g/mol. Its IUPAC name is N-benzyl-2-bromo-N-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-bromo-N-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]acetamide
PubChem CID67352672
Molecular FormulaC17H17BrFNO2
Molecular Weight366.23 g/mol
Exact Mass365.04
IUPAC NameN-benzyl-2-bromo-N-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]acetamide
SMILESO=C(CBr)N(Cc1ccccc1)C[C@H](O)c1ccc(F)cc1
InChIInChI=1S/C17H17BrFNO2/c18-10-17(22)20(11-13-4-2-1-3-5-13)12-16(21)14-6-8-15(19)9-7-14/h1-9,16,21H,10-12H2/t16-/m0/s1
InChIKeyIIBADHBSINGYBY-INIZCTEOSA-N
XLogP3.28
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.23
LogP ≤ 53.28
H-Bond Donors ≤ 51
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 N-benzyl-2-bromo-N-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]acetamide?
The IUPAC name of N-benzyl-2-bromo-N-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]acetamide (CID 67352672) is N-benzyl-2-bromo-N-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]acetamide.
What is the SMILES notation for N-benzyl-2-bromo-N-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]acetamide?
The canonical SMILES for N-benzyl-2-bromo-N-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]acetamide is O=C(CBr)N(Cc1ccccc1)C[C@H](O)c1ccc(F)cc1.
What is the InChIKey of N-benzyl-2-bromo-N-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]acetamide?
The InChIKey is IIBADHBSINGYBY-INIZCTEOSA-N. The full InChI is InChI=1S/C17H17BrFNO2/c18-10-17(22)20(11-13-4-2-1-3-5-13)12-16(21)14-6-8-15(19)9-7-14/h1-9,16,21H,10-12H2/t16-/m0/s1.
What are the key properties of N-benzyl-2-bromo-N-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]acetamide?
N-benzyl-2-bromo-N-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]acetamide has a molecular weight of 366.23 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-bromo-N-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]acetamide is sourced from PubChem (CID 67352672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).