2-(4-bromo-2,6-dimethylanilino)-N-(2-methylbutan-2-yl)acetamide

C15H23BrN2O — CID 61063414

IUPAC2-(4-bromo-2,6-dimethylanilino)-N-(2-methylbutan-2-yl)acetamide
SMILESCCC(C)(C)NC(=O)CNc1c(C)cc(Br)cc1C
InChIInChI=1S/C15H23BrN2O/c1-6-15(4,5)18-13(19)9-17-14-10(2)7-12(16)8-11(14)3/h7-8,17H,6,9H2,1-5H3,(H,18,19)
InChIKeySKMCUJFSSWEPDN-UHFFFAOYSA-N
MW327.27 g/mol
LogP3.78
Rot. Bonds5

About 2-(4-bromo-2,6-dimethylanilino)-N-(2-methylbutan-2-yl)acetamide

2-(4-bromo-2,6-dimethylanilino)-N-(2-methylbutan-2-yl)acetamide (PubChem CID 61063414) has the molecular formula C15H23BrN2O and a molecular weight of 327.27 g/mol. Its IUPAC name is 2-(4-bromo-2,6-dimethylanilino)-N-(2-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-2,6-dimethylanilino)-N-(2-methylbutan-2-yl)acetamide
PubChem CID61063414
Molecular FormulaC15H23BrN2O
Molecular Weight327.27 g/mol
Exact Mass326.10
IUPAC Name2-(4-bromo-2,6-dimethylanilino)-N-(2-methylbutan-2-yl)acetamide
SMILESCCC(C)(C)NC(=O)CNc1c(C)cc(Br)cc1C
InChIInChI=1S/C15H23BrN2O/c1-6-15(4,5)18-13(19)9-17-14-10(2)7-12(16)8-11(14)3/h7-8,17H,6,9H2,1-5H3,(H,18,19)
InChIKeySKMCUJFSSWEPDN-UHFFFAOYSA-N
XLogP3.78
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,6-dichloro-4-fluoroanilino)-N-(2-methylbutan-2-yl)acetamide
CID 83079465
N-tert-butyl-2-(2,4,6-trimethylanilino)acetamide
CID 54812139
2-(2-amino-4-bromo-6-methylphenoxy)-N-(2-methylbutan-2-yl)acetamide
CID 79844124
2-(2-bromoanilino)-N-(2-methylbutan-2-yl)acetamide
CID 51252444
2-(3-fluoro-4-methylanilino)-N-(2-methylbutan-2-yl)acetamide
CID 60672268
2-(4-bromo-2-cyanoanilino)-N-(2-methylbutan-2-yl)acetamide
CID 82708770
2-(2-bromo-5-iodoanilino)-N-(2-methylbutan-2-yl)acetamide
CID 113231069
3-(4-bromo-2,6-dimethylanilino)-2-hydroxy-2-methylpropanoic acid
CID 104643845
2-(5-bromo-2-methylphenoxy)-N-(2-methylbutan-2-yl)acetamide
CID 107284240
2-[3-(dimethylamino)-4-methylanilino]-N-(2-methylbutan-2-yl)acetamide
CID 115378141
1-(4-bromo-2,6-dimethylphenyl)-3-(1-hydroxy-2-methylpropan-2-yl)urea
CID 110894509
3-(4-bromo-2,6-dimethylanilino)-N-ethylpropanamide
CID 62324200

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2,6-dimethylanilino)-N-(2-methylbutan-2-yl)acetamide?
The IUPAC name of 2-(4-bromo-2,6-dimethylanilino)-N-(2-methylbutan-2-yl)acetamide (CID 61063414) is 2-(4-bromo-2,6-dimethylanilino)-N-(2-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(4-bromo-2,6-dimethylanilino)-N-(2-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-(4-bromo-2,6-dimethylanilino)-N-(2-methylbutan-2-yl)acetamide is CCC(C)(C)NC(=O)CNc1c(C)cc(Br)cc1C.
What is the InChIKey of 2-(4-bromo-2,6-dimethylanilino)-N-(2-methylbutan-2-yl)acetamide?
The InChIKey is SKMCUJFSSWEPDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O/c1-6-15(4,5)18-13(19)9-17-14-10(2)7-12(16)8-11(14)3/h7-8,17H,6,9H2,1-5H3,(H,18,19).
What are the key properties of 2-(4-bromo-2,6-dimethylanilino)-N-(2-methylbutan-2-yl)acetamide?
2-(4-bromo-2,6-dimethylanilino)-N-(2-methylbutan-2-yl)acetamide has a molecular weight of 327.27 g/mol, XLogP of 3.78, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2,6-dimethylanilino)-N-(2-methylbutan-2-yl)acetamide is sourced from PubChem (CID 61063414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).