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

C18H19BrFNO2 — CID 1184419

IUPAC2-(4-bromo-2-tert-butylphenoxy)-N-(4-fluorophenyl)acetamide
SMILESCC(C)(C)c1cc(Br)ccc1OCC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C18H19BrFNO2/c1-18(2,3)15-10-12(19)4-9-16(15)23-11-17(22)21-14-7-5-13(20)6-8-14/h4-10H,11H2,1-3H3,(H,21,22)
InChIKeyVQGUGLHROCLPSV-UHFFFAOYSA-N
MW380.26 g/mol
LogP4.90
Rot. Bonds4

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

2-(4-bromo-2-tert-butylphenoxy)-N-(4-fluorophenyl)acetamide (PubChem CID 1184419) has the molecular formula C18H19BrFNO2 and a molecular weight of 380.26 g/mol. Its IUPAC name is 2-(4-bromo-2-tert-butylphenoxy)-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-tert-butylphenoxy)-N-(4-fluorophenyl)acetamide
PubChem CID1184419
Molecular FormulaC18H19BrFNO2
Molecular Weight380.26 g/mol
Exact Mass379.06
IUPAC Name2-(4-bromo-2-tert-butylphenoxy)-N-(4-fluorophenyl)acetamide
SMILESCC(C)(C)c1cc(Br)ccc1OCC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C18H19BrFNO2/c1-18(2,3)15-10-12(19)4-9-16(15)23-11-17(22)21-14-7-5-13(20)6-8-14/h4-10H,11H2,1-3H3,(H,21,22)
InChIKeyVQGUGLHROCLPSV-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 2-(4-bromo-2-tert-butylphenoxy)-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-(4-bromo-2-tert-butylphenoxy)-N-(4-fluorophenyl)acetamide (CID 1184419) is 2-(4-bromo-2-tert-butylphenoxy)-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-(4-bromo-2-tert-butylphenoxy)-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-(4-bromo-2-tert-butylphenoxy)-N-(4-fluorophenyl)acetamide is CC(C)(C)c1cc(Br)ccc1OCC(=O)Nc1ccc(F)cc1.
What is the InChIKey of 2-(4-bromo-2-tert-butylphenoxy)-N-(4-fluorophenyl)acetamide?
The InChIKey is VQGUGLHROCLPSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrFNO2/c1-18(2,3)15-10-12(19)4-9-16(15)23-11-17(22)21-14-7-5-13(20)6-8-14/h4-10H,11H2,1-3H3,(H,21,22).
What are the key properties of 2-(4-bromo-2-tert-butylphenoxy)-N-(4-fluorophenyl)acetamide?
2-(4-bromo-2-tert-butylphenoxy)-N-(4-fluorophenyl)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 2-(4-bromo-2-tert-butylphenoxy)-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 1184419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).