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

C18H19BrClNO2 — CID 7721430

IUPAC2-(4-bromo-2-tert-butylphenoxy)-N-(4-chlorophenyl)acetamide
SMILESCC(C)(C)c1cc(Br)ccc1OCC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C18H19BrClNO2/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)
InChIKeyKIGJEBKDZMUORI-UHFFFAOYSA-N
MW396.71 g/mol
LogP5.42
Rot. Bonds4

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

2-(4-bromo-2-tert-butylphenoxy)-N-(4-chlorophenyl)acetamide (PubChem CID 7721430) has the molecular formula C18H19BrClNO2 and a molecular weight of 396.71 g/mol. Its IUPAC name is 2-(4-bromo-2-tert-butylphenoxy)-N-(4-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-tert-butylphenoxy)-N-(4-chlorophenyl)acetamide
PubChem CID7721430
Molecular FormulaC18H19BrClNO2
Molecular Weight396.71 g/mol
Exact Mass395.03
IUPAC Name2-(4-bromo-2-tert-butylphenoxy)-N-(4-chlorophenyl)acetamide
SMILESCC(C)(C)c1cc(Br)ccc1OCC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C18H19BrClNO2/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)
InChIKeyKIGJEBKDZMUORI-UHFFFAOYSA-N
XLogP5.42
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.71
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromo-2-tert-butylphenoxy)-N-(4-ethylphenyl)acetamide
CID 19171967
N-(4-acetylphenyl)-2-(4-bromo-2-tert-butylphenoxy)acetamide
CID 7721081
methyl 4-[[2-(4-bromo-2-tert-butylphenoxy)acetyl]amino]benzoate
CID 7707998
2-(4-bromo-2-tert-butylphenoxy)-N'-[2-(2-bromo-4-chlorophenoxy)acetyl]acetohydrazide
CID 17051867
4-[[2-(4-bromo-2-tert-butylphenoxy)acetyl]amino]-N,N-diethylbenzamide
CID 17196833
2-(4-bromo-2-tert-butylphenoxy)-N-(4-hexoxyphenyl)acetamide
CID 17051658
N-[3-[[2-(4-bromo-2-tert-butylphenoxy)acetyl]amino]-4-chlorophenyl]butanamide
CID 17174600
2-(4-bromo-2-tert-butylphenoxy)-N-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]acetamide
CID 17051609
butyl 4-[[2-(4-bromo-2-tert-butylphenoxy)acetyl]amino]benzoate
CID 19166259
3-[[2-(4-bromo-2-tert-butylphenoxy)acetyl]amino]benzamide
CID 26160615
2-(4-bromo-2-tert-butylphenoxy)-N-(3-methoxyphenyl)acetamide
CID 1184414
2-(4-bromo-2-tert-butylphenoxy)-N-(4-bromo-2-methylphenyl)acetamide
CID 19227918

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-tert-butylphenoxy)-N-(4-chlorophenyl)acetamide?
The IUPAC name of 2-(4-bromo-2-tert-butylphenoxy)-N-(4-chlorophenyl)acetamide (CID 7721430) is 2-(4-bromo-2-tert-butylphenoxy)-N-(4-chlorophenyl)acetamide.
What is the SMILES notation for 2-(4-bromo-2-tert-butylphenoxy)-N-(4-chlorophenyl)acetamide?
The canonical SMILES for 2-(4-bromo-2-tert-butylphenoxy)-N-(4-chlorophenyl)acetamide is CC(C)(C)c1cc(Br)ccc1OCC(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-bromo-2-tert-butylphenoxy)-N-(4-chlorophenyl)acetamide?
The InChIKey is KIGJEBKDZMUORI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrClNO2/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-chlorophenyl)acetamide?
2-(4-bromo-2-tert-butylphenoxy)-N-(4-chlorophenyl)acetamide has a molecular weight of 396.71 g/mol, XLogP of 5.42, 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-chlorophenyl)acetamide is sourced from PubChem (CID 7721430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).