2-(N-acetyl-2-ethyl-6-methylanilino)-N-(3-bromophenyl)acetamide

C19H21BrN2O2 — CID 113169547

IUPAC2-(N-acetyl-2-ethyl-6-methylanilino)-N-(3-bromophenyl)acetamide
SMILESCCc1cccc(C)c1N(CC(=O)Nc1cccc(Br)c1)C(C)=O
InChIInChI=1S/C19H21BrN2O2/c1-4-15-8-5-7-13(2)19(15)22(14(3)23)12-18(24)21-17-10-6-9-16(20)11-17/h5-11H,4,12H2,1-3H3,(H,21,24)
InChIKeyWTBMMXGHIKKFDQ-UHFFFAOYSA-N
MW389.29 g/mol
LogP4.31
Rot. Bonds5

About 2-(N-acetyl-2-ethyl-6-methylanilino)-N-(3-bromophenyl)acetamide

2-(N-acetyl-2-ethyl-6-methylanilino)-N-(3-bromophenyl)acetamide (PubChem CID 113169547) has the molecular formula C19H21BrN2O2 and a molecular weight of 389.29 g/mol. Its IUPAC name is 2-(N-acetyl-2-ethyl-6-methylanilino)-N-(3-bromophenyl)acetamide.

Molecular Properties

Compound Name2-(N-acetyl-2-ethyl-6-methylanilino)-N-(3-bromophenyl)acetamide
PubChem CID113169547
Molecular FormulaC19H21BrN2O2
Molecular Weight389.29 g/mol
Exact Mass388.08
IUPAC Name2-(N-acetyl-2-ethyl-6-methylanilino)-N-(3-bromophenyl)acetamide
SMILESCCc1cccc(C)c1N(CC(=O)Nc1cccc(Br)c1)C(C)=O
InChIInChI=1S/C19H21BrN2O2/c1-4-15-8-5-7-13(2)19(15)22(14(3)23)12-18(24)21-17-10-6-9-16(20)11-17/h5-11H,4,12H2,1-3H3,(H,21,24)
InChIKeyWTBMMXGHIKKFDQ-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-2,6-diethylanilino)-N-(3-acetylphenyl)acetamide
CID 113170208
2-(N-acetyl-2-ethyl-6-methylanilino)-N-(2,6-dimethylphenyl)acetamide
CID 113169493
N-(3-acetamidophenyl)-3-(N-acetyl-2-ethyl-6-methylanilino)propanamide
CID 113125623
2-(N-acetyl-2-ethyl-6-methylanilino)-N-(4-chloro-2-methylphenyl)acetamide
CID 113169512
2-(N-acetyl-2,6-dimethylanilino)-N-(3,4-dimethylphenyl)acetamide
CID 113168721
2-(N-acetyl-2-ethyl-6-methylanilino)-N-(2-fluorophenyl)acetamide
CID 113169505
2-(N-acetyl-2-ethyl-6-methylanilino)-N-propan-2-ylacetamide
CID 113169400
2-(N-acetyl-2-ethyl-6-methylanilino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 113169502
N-(3-bromophenyl)-2-(2-methylphenyl)acetamide
CID 24705879
2-(N-acetyl-3-bromoanilino)-N-(3-acetylphenyl)acetamide
CID 113177964
2-(N-acetyl-2,6-dimethylanilino)-N-(3,4-dichlorophenyl)acetamide
CID 113168799
2-(N-acetyl-2-ethylanilino)-N-(4-bromo-3-methylphenyl)acetamide
CID 113169176

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-2-ethyl-6-methylanilino)-N-(3-bromophenyl)acetamide?
The IUPAC name of 2-(N-acetyl-2-ethyl-6-methylanilino)-N-(3-bromophenyl)acetamide (CID 113169547) is 2-(N-acetyl-2-ethyl-6-methylanilino)-N-(3-bromophenyl)acetamide.
What is the SMILES notation for 2-(N-acetyl-2-ethyl-6-methylanilino)-N-(3-bromophenyl)acetamide?
The canonical SMILES for 2-(N-acetyl-2-ethyl-6-methylanilino)-N-(3-bromophenyl)acetamide is CCc1cccc(C)c1N(CC(=O)Nc1cccc(Br)c1)C(C)=O.
What is the InChIKey of 2-(N-acetyl-2-ethyl-6-methylanilino)-N-(3-bromophenyl)acetamide?
The InChIKey is WTBMMXGHIKKFDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O2/c1-4-15-8-5-7-13(2)19(15)22(14(3)23)12-18(24)21-17-10-6-9-16(20)11-17/h5-11H,4,12H2,1-3H3,(H,21,24).
What are the key properties of 2-(N-acetyl-2-ethyl-6-methylanilino)-N-(3-bromophenyl)acetamide?
2-(N-acetyl-2-ethyl-6-methylanilino)-N-(3-bromophenyl)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-ethyl-6-methylanilino)-N-(3-bromophenyl)acetamide is sourced from PubChem (CID 113169547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).