N-(4-bromo-2-fluorophenyl)-2-(4-tert-butylphenoxy)acetamide

C18H19BrFNO2 — CID 1347946

IUPACN-(4-bromo-2-fluorophenyl)-2-(4-tert-butylphenoxy)acetamide
SMILESCC(C)(C)c1ccc(OCC(=O)Nc2ccc(Br)cc2F)cc1
InChIInChI=1S/C18H19BrFNO2/c1-18(2,3)12-4-7-14(8-5-12)23-11-17(22)21-16-9-6-13(19)10-15(16)20/h4-10H,11H2,1-3H3,(H,21,22)
InChIKeyLSOZWUIEJICDOC-UHFFFAOYSA-N
MW380.26 g/mol
LogP4.90
Rot. Bonds4

About N-(4-bromo-2-fluorophenyl)-2-(4-tert-butylphenoxy)acetamide

N-(4-bromo-2-fluorophenyl)-2-(4-tert-butylphenoxy)acetamide (PubChem CID 1347946) has the molecular formula C18H19BrFNO2 and a molecular weight of 380.26 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-2-(4-tert-butylphenoxy)acetamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-2-(4-tert-butylphenoxy)acetamide
PubChem CID1347946
Molecular FormulaC18H19BrFNO2
Molecular Weight380.26 g/mol
Exact Mass379.06
IUPAC NameN-(4-bromo-2-fluorophenyl)-2-(4-tert-butylphenoxy)acetamide
SMILESCC(C)(C)c1ccc(OCC(=O)Nc2ccc(Br)cc2F)cc1
InChIInChI=1S/C18H19BrFNO2/c1-18(2,3)12-4-7-14(8-5-12)23-11-17(22)21-16-9-6-13(19)10-15(16)20/h4-10H,11H2,1-3H3,(H,21,22)
InChIKeyLSOZWUIEJICDOC-UHFFFAOYSA-N
XLogP4.90
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.26
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-2-(4-tert-butylphenoxy)acetamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-2-(4-tert-butylphenoxy)acetamide (CID 1347946) is N-(4-bromo-2-fluorophenyl)-2-(4-tert-butylphenoxy)acetamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-2-(4-tert-butylphenoxy)acetamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-2-(4-tert-butylphenoxy)acetamide is CC(C)(C)c1ccc(OCC(=O)Nc2ccc(Br)cc2F)cc1.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-2-(4-tert-butylphenoxy)acetamide?
The InChIKey is LSOZWUIEJICDOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrFNO2/c1-18(2,3)12-4-7-14(8-5-12)23-11-17(22)21-16-9-6-13(19)10-15(16)20/h4-10H,11H2,1-3H3,(H,21,22).
What are the key properties of N-(4-bromo-2-fluorophenyl)-2-(4-tert-butylphenoxy)acetamide?
N-(4-bromo-2-fluorophenyl)-2-(4-tert-butylphenoxy)acetamide has a molecular weight of 380.26 g/mol, XLogP of 4.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-2-(4-tert-butylphenoxy)acetamide is sourced from PubChem (CID 1347946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).