2-(4-bromophenyl)-N-tert-butyl-2-propan-2-yloxyacetamide

C15H22BrNO2 — CID 42643808

IUPAC2-(4-bromophenyl)-N-tert-butyl-2-propan-2-yloxyacetamide
SMILESCC(C)OC(C(=O)NC(C)(C)C)c1ccc(Br)cc1
InChIInChI=1S/C15H22BrNO2/c1-10(2)19-13(14(18)17-15(3,4)5)11-6-8-12(16)9-7-11/h6-10,13H,1-5H3,(H,17,18)
InChIKeyXGYVQPDGVQDIEL-UHFFFAOYSA-N
MW328.25 g/mol
LogP3.83
Rot. Bonds4

About 2-(4-bromophenyl)-N-tert-butyl-2-propan-2-yloxyacetamide

2-(4-bromophenyl)-N-tert-butyl-2-propan-2-yloxyacetamide (PubChem CID 42643808) has the molecular formula C15H22BrNO2 and a molecular weight of 328.25 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-tert-butyl-2-propan-2-yloxyacetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-tert-butyl-2-propan-2-yloxyacetamide
PubChem CID42643808
Molecular FormulaC15H22BrNO2
Molecular Weight328.25 g/mol
Exact Mass327.08
IUPAC Name2-(4-bromophenyl)-N-tert-butyl-2-propan-2-yloxyacetamide
SMILESCC(C)OC(C(=O)NC(C)(C)C)c1ccc(Br)cc1
InChIInChI=1S/C15H22BrNO2/c1-10(2)19-13(14(18)17-15(3,4)5)11-6-8-12(16)9-7-11/h6-10,13H,1-5H3,(H,17,18)
InChIKeyXGYVQPDGVQDIEL-UHFFFAOYSA-N
XLogP3.83
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-tert-butyl-2-propan-2-yloxyacetamide?
The IUPAC name of 2-(4-bromophenyl)-N-tert-butyl-2-propan-2-yloxyacetamide (CID 42643808) is 2-(4-bromophenyl)-N-tert-butyl-2-propan-2-yloxyacetamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-tert-butyl-2-propan-2-yloxyacetamide?
The canonical SMILES for 2-(4-bromophenyl)-N-tert-butyl-2-propan-2-yloxyacetamide is CC(C)OC(C(=O)NC(C)(C)C)c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-N-tert-butyl-2-propan-2-yloxyacetamide?
The InChIKey is XGYVQPDGVQDIEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO2/c1-10(2)19-13(14(18)17-15(3,4)5)11-6-8-12(16)9-7-11/h6-10,13H,1-5H3,(H,17,18).
What are the key properties of 2-(4-bromophenyl)-N-tert-butyl-2-propan-2-yloxyacetamide?
2-(4-bromophenyl)-N-tert-butyl-2-propan-2-yloxyacetamide has a molecular weight of 328.25 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-tert-butyl-2-propan-2-yloxyacetamide is sourced from PubChem (CID 42643808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).