2-(4-bromo-2-tert-butylphenoxy)-N-[(2-chlorophenyl)methyl]acetamide

C19H21BrClNO2 — CID 17194203

IUPAC2-(4-bromo-2-tert-butylphenoxy)-N-[(2-chlorophenyl)methyl]acetamide
SMILESCC(C)(C)c1cc(Br)ccc1OCC(=O)NCc1ccccc1Cl
InChIInChI=1S/C19H21BrClNO2/c1-19(2,3)15-10-14(20)8-9-17(15)24-12-18(23)22-11-13-6-4-5-7-16(13)21/h4-10H,11-12H2,1-3H3,(H,22,23)
InChIKeyVNABAXWOWLWPOS-UHFFFAOYSA-N
MW410.74 g/mol
LogP5.10
Rot. Bonds5

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

2-(4-bromo-2-tert-butylphenoxy)-N-[(2-chlorophenyl)methyl]acetamide (PubChem CID 17194203) has the molecular formula C19H21BrClNO2 and a molecular weight of 410.74 g/mol. Its IUPAC name is 2-(4-bromo-2-tert-butylphenoxy)-N-[(2-chlorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-tert-butylphenoxy)-N-[(2-chlorophenyl)methyl]acetamide
PubChem CID17194203
Molecular FormulaC19H21BrClNO2
Molecular Weight410.74 g/mol
Exact Mass409.04
IUPAC Name2-(4-bromo-2-tert-butylphenoxy)-N-[(2-chlorophenyl)methyl]acetamide
SMILESCC(C)(C)c1cc(Br)ccc1OCC(=O)NCc1ccccc1Cl
InChIInChI=1S/C19H21BrClNO2/c1-19(2,3)15-10-14(20)8-9-17(15)24-12-18(23)22-11-13-6-4-5-7-16(13)21/h4-10H,11-12H2,1-3H3,(H,22,23)
InChIKeyVNABAXWOWLWPOS-UHFFFAOYSA-N
XLogP5.10
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.74
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromo-2-tert-butylphenoxy)-N-(furan-2-ylmethyl)acetamide
CID 7721428
2-(4-bromo-2-tert-butylphenoxy)-N'-[2-(2-bromo-4-chlorophenoxy)acetyl]acetohydrazide
CID 17051867
N-benzhydryl-2-(4-bromo-2-tert-butylphenoxy)acetamide
CID 19171974
N-[(2-chlorophenyl)methyl]-2-(2,4,5-trimethylphenoxy)acetamide
CID 112978021
2-(4-bromo-2-tert-butylphenoxy)-N-(4-chlorophenyl)acetamide
CID 7721430
N-(1,3-benzodioxol-5-ylmethyl)-2-(4-bromo-2-tert-butylphenoxy)acetamide
CID 1190323
2-(2-bromo-4-butan-2-ylphenoxy)-N-[(2-chlorophenyl)methyl]acetamide
CID 17194226
N-[(2-chlorophenyl)methyl]-2-(2,3-dichlorophenoxy)acetamide
CID 2602916
4-[2-[2-(4-bromo-2-tert-butylphenoxy)acetyl]hydrazinyl]-N-(3-chloro-2-methylphenyl)-4-oxobutanamide
CID 17051812
2-(2-tert-butylphenoxy)-N-[(2-fluorophenyl)methyl]acetamide
CID 24536882
N-benzyl-2-(4-bromo-2-chlorophenoxy)acetamide
CID 2906661
2-(4-bromo-2-tert-butylphenoxy)-N-(2-ethoxyphenyl)acetamide
CID 1184481

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-tert-butylphenoxy)-N-[(2-chlorophenyl)methyl]acetamide?
The IUPAC name of 2-(4-bromo-2-tert-butylphenoxy)-N-[(2-chlorophenyl)methyl]acetamide (CID 17194203) is 2-(4-bromo-2-tert-butylphenoxy)-N-[(2-chlorophenyl)methyl]acetamide.
What is the SMILES notation for 2-(4-bromo-2-tert-butylphenoxy)-N-[(2-chlorophenyl)methyl]acetamide?
The canonical SMILES for 2-(4-bromo-2-tert-butylphenoxy)-N-[(2-chlorophenyl)methyl]acetamide is CC(C)(C)c1cc(Br)ccc1OCC(=O)NCc1ccccc1Cl.
What is the InChIKey of 2-(4-bromo-2-tert-butylphenoxy)-N-[(2-chlorophenyl)methyl]acetamide?
The InChIKey is VNABAXWOWLWPOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrClNO2/c1-19(2,3)15-10-14(20)8-9-17(15)24-12-18(23)22-11-13-6-4-5-7-16(13)21/h4-10H,11-12H2,1-3H3,(H,22,23).
What are the key properties of 2-(4-bromo-2-tert-butylphenoxy)-N-[(2-chlorophenyl)methyl]acetamide?
2-(4-bromo-2-tert-butylphenoxy)-N-[(2-chlorophenyl)methyl]acetamide has a molecular weight of 410.74 g/mol, XLogP of 5.10, 5 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-[(2-chlorophenyl)methyl]acetamide is sourced from PubChem (CID 17194203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).