2-(N-acetyl-2-ethylanilino)-N-(4-bromo-3-methylphenyl)acetamide

C19H21BrN2O2 — CID 113169176

IUPAC2-(N-acetyl-2-ethylanilino)-N-(4-bromo-3-methylphenyl)acetamide
SMILESCCc1ccccc1N(CC(=O)Nc1ccc(Br)c(C)c1)C(C)=O
InChIInChI=1S/C19H21BrN2O2/c1-4-15-7-5-6-8-18(15)22(14(3)23)12-19(24)21-16-9-10-17(20)13(2)11-16/h5-11H,4,12H2,1-3H3,(H,21,24)
InChIKeyKXFSGZKGMRCMID-UHFFFAOYSA-N
MW389.29 g/mol
LogP4.31
Rot. Bonds5

About 2-(N-acetyl-2-ethylanilino)-N-(4-bromo-3-methylphenyl)acetamide

2-(N-acetyl-2-ethylanilino)-N-(4-bromo-3-methylphenyl)acetamide (PubChem CID 113169176) has the molecular formula C19H21BrN2O2 and a molecular weight of 389.29 g/mol. Its IUPAC name is 2-(N-acetyl-2-ethylanilino)-N-(4-bromo-3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(N-acetyl-2-ethylanilino)-N-(4-bromo-3-methylphenyl)acetamide
PubChem CID113169176
Molecular FormulaC19H21BrN2O2
Molecular Weight389.29 g/mol
Exact Mass388.08
IUPAC Name2-(N-acetyl-2-ethylanilino)-N-(4-bromo-3-methylphenyl)acetamide
SMILESCCc1ccccc1N(CC(=O)Nc1ccc(Br)c(C)c1)C(C)=O
InChIInChI=1S/C19H21BrN2O2/c1-4-15-7-5-6-8-18(15)22(14(3)23)12-19(24)21-16-9-10-17(20)13(2)11-16/h5-11H,4,12H2,1-3H3,(H,21,24)
InChIKeyKXFSGZKGMRCMID-UHFFFAOYSA-N
XLogP4.31
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.29
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(N-acetyl-2-ethylanilino)-N-phenylacetamide
CID 113169100
2-(N-acetyl-2-ethylanilino)-N-(3,4-difluorophenyl)acetamide
CID 113169203
2-(N-acetyl-2-ethylanilino)-N-(2-methylphenyl)acetamide
CID 113169101
2-(N-acetyl-2-bromo-4-methylanilino)-N-(3,4-dimethylphenyl)acetamide
CID 113178033
methyl 3-[[2-(N-acetyl-2-ethylanilino)acetyl]amino]benzoate
CID 113169158
2-(N-acetyl-4-bromo-2-methylanilino)-N-(3,4-dimethylphenyl)acetamide
CID 113178111
2-(N-acetyl-4-bromo-2-methylanilino)-N-(2-ethylphenyl)acetamide
CID 113178115
2-(N-acetyl-2-ethyl-6-methylanilino)-N-(3-bromophenyl)acetamide
CID 113169547
2-(N-acetyl-4-bromo-3-methylanilino)-N-(3-fluorophenyl)acetamide
CID 113178204
2-(N-acetyl-2-methylanilino)-N-(3,4-dimethoxyphenyl)acetamide
CID 113167396
N-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-2-(2-methylphenyl)acetamide
CID 113000611
2-(N-acetyl-2-bromoanilino)-N-(2-methylphenyl)acetamide
CID 113177819

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-2-ethylanilino)-N-(4-bromo-3-methylphenyl)acetamide?
The IUPAC name of 2-(N-acetyl-2-ethylanilino)-N-(4-bromo-3-methylphenyl)acetamide (CID 113169176) is 2-(N-acetyl-2-ethylanilino)-N-(4-bromo-3-methylphenyl)acetamide.
What is the SMILES notation for 2-(N-acetyl-2-ethylanilino)-N-(4-bromo-3-methylphenyl)acetamide?
The canonical SMILES for 2-(N-acetyl-2-ethylanilino)-N-(4-bromo-3-methylphenyl)acetamide is CCc1ccccc1N(CC(=O)Nc1ccc(Br)c(C)c1)C(C)=O.
What is the InChIKey of 2-(N-acetyl-2-ethylanilino)-N-(4-bromo-3-methylphenyl)acetamide?
The InChIKey is KXFSGZKGMRCMID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O2/c1-4-15-7-5-6-8-18(15)22(14(3)23)12-19(24)21-16-9-10-17(20)13(2)11-16/h5-11H,4,12H2,1-3H3,(H,21,24).
What are the key properties of 2-(N-acetyl-2-ethylanilino)-N-(4-bromo-3-methylphenyl)acetamide?
2-(N-acetyl-2-ethylanilino)-N-(4-bromo-3-methylphenyl)acetamide has a molecular weight of 389.29 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-2-ethylanilino)-N-(4-bromo-3-methylphenyl)acetamide is sourced from PubChem (CID 113169176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).