2-[acetyl(2-methylpropyl)amino]-N-(4-bromo-2-methylphenyl)acetamide

C15H21BrN2O2 — CID 113158975

IUPAC2-[acetyl(2-methylpropyl)amino]-N-(4-bromo-2-methylphenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1ccc(Br)cc1C)CC(C)C
InChIInChI=1S/C15H21BrN2O2/c1-10(2)8-18(12(4)19)9-15(20)17-14-6-5-13(16)7-11(14)3/h5-7,10H,8-9H2,1-4H3,(H,17,20)
InChIKeyKFEFVAGVNMYRPR-UHFFFAOYSA-N
MW341.25 g/mol
LogP3.20
Rot. Bonds5

About 2-[acetyl(2-methylpropyl)amino]-N-(4-bromo-2-methylphenyl)acetamide

2-[acetyl(2-methylpropyl)amino]-N-(4-bromo-2-methylphenyl)acetamide (PubChem CID 113158975) has the molecular formula C15H21BrN2O2 and a molecular weight of 341.25 g/mol. Its IUPAC name is 2-[acetyl(2-methylpropyl)amino]-N-(4-bromo-2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[acetyl(2-methylpropyl)amino]-N-(4-bromo-2-methylphenyl)acetamide
PubChem CID113158975
Molecular FormulaC15H21BrN2O2
Molecular Weight341.25 g/mol
Exact Mass340.08
IUPAC Name2-[acetyl(2-methylpropyl)amino]-N-(4-bromo-2-methylphenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1ccc(Br)cc1C)CC(C)C
InChIInChI=1S/C15H21BrN2O2/c1-10(2)8-18(12(4)19)9-15(20)17-14-6-5-13(16)7-11(14)3/h5-7,10H,8-9H2,1-4H3,(H,17,20)
InChIKeyKFEFVAGVNMYRPR-UHFFFAOYSA-N
XLogP3.20
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.25
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[acetyl(pentyl)amino]-N-(4-bromo-2-methylphenyl)acetamide
CID 113166813
2-[acetyl(2-methylpropyl)amino]-N-(2,3-dimethylphenyl)acetamide
CID 113158912
2-[acetyl(cyclopropyl)amino]-N-(4-bromo-2-methylphenyl)acetamide
CID 113158463
2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]-N-(2-methylpropyl)acetamide
CID 9303536
3-[acetyl(2-methylpropyl)amino]-N-(2,4-dimethylphenyl)propanamide
CID 113116006
N-(4-bromo-2-methylphenyl)-2-[[(1S)-1-cyanoethyl]-methylamino]acetamide
CID 9303278
2-[acetyl(2-methylpropyl)amino]-N-(2-fluorophenyl)acetamide
CID 113158923
3-[acetyl(prop-2-enyl)amino]-N-(4-bromo-2-methylphenyl)propanamide
CID 113115678
3-[acetyl(2-methoxyethyl)amino]-N-(4-bromo-2-methylphenyl)propanamide
CID 113117035
2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]-N-(4-propan-2-ylphenyl)acetamide
CID 31378015
3-amino-N-(4-bromo-2-methylphenyl)butanamide;hydrochloride
CID 119682559
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N,2-dimethyl-3-(methylamino)propanamide;hydrochloride
CID 119684867

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(2-methylpropyl)amino]-N-(4-bromo-2-methylphenyl)acetamide?
The IUPAC name of 2-[acetyl(2-methylpropyl)amino]-N-(4-bromo-2-methylphenyl)acetamide (CID 113158975) is 2-[acetyl(2-methylpropyl)amino]-N-(4-bromo-2-methylphenyl)acetamide.
What is the SMILES notation for 2-[acetyl(2-methylpropyl)amino]-N-(4-bromo-2-methylphenyl)acetamide?
The canonical SMILES for 2-[acetyl(2-methylpropyl)amino]-N-(4-bromo-2-methylphenyl)acetamide is CC(=O)N(CC(=O)Nc1ccc(Br)cc1C)CC(C)C.
What is the InChIKey of 2-[acetyl(2-methylpropyl)amino]-N-(4-bromo-2-methylphenyl)acetamide?
The InChIKey is KFEFVAGVNMYRPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O2/c1-10(2)8-18(12(4)19)9-15(20)17-14-6-5-13(16)7-11(14)3/h5-7,10H,8-9H2,1-4H3,(H,17,20).
What are the key properties of 2-[acetyl(2-methylpropyl)amino]-N-(4-bromo-2-methylphenyl)acetamide?
2-[acetyl(2-methylpropyl)amino]-N-(4-bromo-2-methylphenyl)acetamide has a molecular weight of 341.25 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(2-methylpropyl)amino]-N-(4-bromo-2-methylphenyl)acetamide is sourced from PubChem (CID 113158975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).