N-[4-[2-(4-bromo-2-methylanilino)-2-oxoethoxy]phenyl]-N,2,2-trimethylpropanamide

C21H25BrN2O3 — CID 112828009

IUPACN-[4-[2-(4-bromo-2-methylanilino)-2-oxoethoxy]phenyl]-N,2,2-trimethylpropanamide
SMILESCc1cc(Br)ccc1NC(=O)COc1ccc(N(C)C(=O)C(C)(C)C)cc1
InChIInChI=1S/C21H25BrN2O3/c1-14-12-15(22)6-11-18(14)23-19(25)13-27-17-9-7-16(8-10-17)24(5)20(26)21(2,3)4/h6-12H,13H2,1-5H3,(H,23,25)
InChIKeyCXVGMBKJIMQUJV-UHFFFAOYSA-N
MW433.35 g/mol
LogP4.78
Rot. Bonds5

About N-[4-[2-(4-bromo-2-methylanilino)-2-oxoethoxy]phenyl]-N,2,2-trimethylpropanamide

N-[4-[2-(4-bromo-2-methylanilino)-2-oxoethoxy]phenyl]-N,2,2-trimethylpropanamide (PubChem CID 112828009) has the molecular formula C21H25BrN2O3 and a molecular weight of 433.35 g/mol. Its IUPAC name is N-[4-[2-(4-bromo-2-methylanilino)-2-oxoethoxy]phenyl]-N,2,2-trimethylpropanamide.

Molecular Properties

Compound NameN-[4-[2-(4-bromo-2-methylanilino)-2-oxoethoxy]phenyl]-N,2,2-trimethylpropanamide
PubChem CID112828009
Molecular FormulaC21H25BrN2O3
Molecular Weight433.35 g/mol
Exact Mass432.10
IUPAC NameN-[4-[2-(4-bromo-2-methylanilino)-2-oxoethoxy]phenyl]-N,2,2-trimethylpropanamide
SMILESCc1cc(Br)ccc1NC(=O)COc1ccc(N(C)C(=O)C(C)(C)C)cc1
InChIInChI=1S/C21H25BrN2O3/c1-14-12-15(22)6-11-18(14)23-19(25)13-27-17-9-7-16(8-10-17)24(5)20(26)21(2,3)4/h6-12H,13H2,1-5H3,(H,23,25)
InChIKeyCXVGMBKJIMQUJV-UHFFFAOYSA-N
XLogP4.78
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.35
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-2-methylphenyl)-2-(4-ethoxyphenoxy)acetamide
CID 7613552
2-(4-bromophenoxy)-N-(2,4-dimethylphenyl)acetamide
CID 874144
ethyl 4-[2-(4-bromo-2-methylanilino)-2-oxoethoxy]benzoate
CID 34568390
2-(4-bromo-2-tert-butylphenoxy)-N-(4-bromo-2-methylphenyl)acetamide
CID 19227918
2-[[2-(4-acetylphenoxy)acetyl]amino]-N-(4-bromo-2-methylphenyl)acetamide
CID 2621364
N-(4-bromo-2-methylphenyl)-2-(3-methylphenoxy)acetamide;oxalic acid
CID 171154737
[2-(4-bromo-2-methylanilino)-2-oxoethyl] 2-(3,4-dimethylphenoxy)acetate
CID 40706675
N-(4-bromo-2-methylphenyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide
CID 3489380
2-(4-bromo-2-fluorophenoxy)-N-[4-(dimethylamino)-2-methylphenyl]acetamide
CID 55709588
N-(4-bromo-2-iodophenyl)-2-(4-tert-butylphenoxy)acetamide
CID 3872466
N-(4-bromo-2-methylphenyl)-2-(2-oxochromen-7-yl)oxyacetamide
CID 2610857
N-(4-bromo-2-methylphenyl)-2-[[2-(4-nitrophenoxy)acetyl]amino]acetamide
CID 2632099

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4-bromo-2-methylanilino)-2-oxoethoxy]phenyl]-N,2,2-trimethylpropanamide?
The IUPAC name of N-[4-[2-(4-bromo-2-methylanilino)-2-oxoethoxy]phenyl]-N,2,2-trimethylpropanamide (CID 112828009) is N-[4-[2-(4-bromo-2-methylanilino)-2-oxoethoxy]phenyl]-N,2,2-trimethylpropanamide.
What is the SMILES notation for N-[4-[2-(4-bromo-2-methylanilino)-2-oxoethoxy]phenyl]-N,2,2-trimethylpropanamide?
The canonical SMILES for N-[4-[2-(4-bromo-2-methylanilino)-2-oxoethoxy]phenyl]-N,2,2-trimethylpropanamide is Cc1cc(Br)ccc1NC(=O)COc1ccc(N(C)C(=O)C(C)(C)C)cc1.
What is the InChIKey of N-[4-[2-(4-bromo-2-methylanilino)-2-oxoethoxy]phenyl]-N,2,2-trimethylpropanamide?
The InChIKey is CXVGMBKJIMQUJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25BrN2O3/c1-14-12-15(22)6-11-18(14)23-19(25)13-27-17-9-7-16(8-10-17)24(5)20(26)21(2,3)4/h6-12H,13H2,1-5H3,(H,23,25).
What are the key properties of N-[4-[2-(4-bromo-2-methylanilino)-2-oxoethoxy]phenyl]-N,2,2-trimethylpropanamide?
N-[4-[2-(4-bromo-2-methylanilino)-2-oxoethoxy]phenyl]-N,2,2-trimethylpropanamide has a molecular weight of 433.35 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(4-bromo-2-methylanilino)-2-oxoethoxy]phenyl]-N,2,2-trimethylpropanamide is sourced from PubChem (CID 112828009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).