2-(4-bromo-2-methylanilino)-N-(2-ethyl-6-methylphenyl)acetamide

C18H21BrN2O — CID 9106775

IUPAC2-(4-bromo-2-methylanilino)-N-(2-ethyl-6-methylphenyl)acetamide
SMILESCCc1cccc(C)c1NC(=O)CNc1ccc(Br)cc1C
InChIInChI=1S/C18H21BrN2O/c1-4-14-7-5-6-12(2)18(14)21-17(22)11-20-16-9-8-15(19)10-13(16)3/h5-10,20H,4,11H2,1-3H3,(H,21,22)
InChIKeyZWSTZOLJKSBVMR-UHFFFAOYSA-N
MW361.28 g/mol
LogP4.68
Rot. Bonds5

About 2-(4-bromo-2-methylanilino)-N-(2-ethyl-6-methylphenyl)acetamide

2-(4-bromo-2-methylanilino)-N-(2-ethyl-6-methylphenyl)acetamide (PubChem CID 9106775) has the molecular formula C18H21BrN2O and a molecular weight of 361.28 g/mol. Its IUPAC name is 2-(4-bromo-2-methylanilino)-N-(2-ethyl-6-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-methylanilino)-N-(2-ethyl-6-methylphenyl)acetamide
PubChem CID9106775
Molecular FormulaC18H21BrN2O
Molecular Weight361.28 g/mol
Exact Mass360.08
IUPAC Name2-(4-bromo-2-methylanilino)-N-(2-ethyl-6-methylphenyl)acetamide
SMILESCCc1cccc(C)c1NC(=O)CNc1ccc(Br)cc1C
InChIInChI=1S/C18H21BrN2O/c1-4-14-7-5-6-12(2)18(14)21-17(22)11-20-16-9-8-15(19)10-13(16)3/h5-10,20H,4,11H2,1-3H3,(H,21,22)
InChIKeyZWSTZOLJKSBVMR-UHFFFAOYSA-N
XLogP4.68
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.28
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromophenyl)-N-(2-ethyl-6-methylphenyl)acetamide
CID 100698808
N-(2,6-dimethylphenyl)-2-(2-ethyl-6-methylanilino)acetamide
CID 33004349
2-(5-chloro-2-methylanilino)-N-(2-ethyl-6-methylphenyl)acetamide
CID 2649472
2-(2,4-dimethoxyanilino)-N-(2-ethyl-6-methylphenyl)acetamide
CID 8965693
2-(2,3-dichloroanilino)-N-(2-ethyl-6-methylphenyl)acetamide
CID 54815902
(Z)-3-(4-bromo-2-methylanilino)-2-cyano-N-(2-ethyl-6-methylphenyl)prop-2-enamide
CID 108850937
2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]-N-(2-ethyl-6-methylphenyl)acetamide
CID 9106574
2-(4-bromo-2-methylanilino)-N-propan-2-ylacetamide
CID 28572367
2-(4-bromo-2-methylanilino)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 86908844
2-[2-chloro-5-(hydroxymethyl)anilino]-N-(2-ethyl-6-methylphenyl)acetamide
CID 110929600
2-(4-bromo-2-methylanilino)-N-(2-bromo-4-methylphenyl)acetamide
CID 9106742
2-(2-ethyl-6-methylanilino)-N-(2-ethylphenyl)acetamide
CID 109007629

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-methylanilino)-N-(2-ethyl-6-methylphenyl)acetamide?
The IUPAC name of 2-(4-bromo-2-methylanilino)-N-(2-ethyl-6-methylphenyl)acetamide (CID 9106775) is 2-(4-bromo-2-methylanilino)-N-(2-ethyl-6-methylphenyl)acetamide.
What is the SMILES notation for 2-(4-bromo-2-methylanilino)-N-(2-ethyl-6-methylphenyl)acetamide?
The canonical SMILES for 2-(4-bromo-2-methylanilino)-N-(2-ethyl-6-methylphenyl)acetamide is CCc1cccc(C)c1NC(=O)CNc1ccc(Br)cc1C.
What is the InChIKey of 2-(4-bromo-2-methylanilino)-N-(2-ethyl-6-methylphenyl)acetamide?
The InChIKey is ZWSTZOLJKSBVMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN2O/c1-4-14-7-5-6-12(2)18(14)21-17(22)11-20-16-9-8-15(19)10-13(16)3/h5-10,20H,4,11H2,1-3H3,(H,21,22).
What are the key properties of 2-(4-bromo-2-methylanilino)-N-(2-ethyl-6-methylphenyl)acetamide?
2-(4-bromo-2-methylanilino)-N-(2-ethyl-6-methylphenyl)acetamide has a molecular weight of 361.28 g/mol, XLogP of 4.68, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-methylanilino)-N-(2-ethyl-6-methylphenyl)acetamide is sourced from PubChem (CID 9106775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).