N-(4-bromo-2-methylphenyl)-2,2-dimethylbutanamide

C13H18BrNO — CID 4634905

IUPACN-(4-bromo-2-methylphenyl)-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)Nc1ccc(Br)cc1C
InChIInChI=1S/C13H18BrNO/c1-5-13(3,4)12(16)15-11-7-6-10(14)8-9(11)2/h6-8H,5H2,1-4H3,(H,15,16)
InChIKeyXZTCSLBTTSYIQP-UHFFFAOYSA-N
MW284.20 g/mol
LogP4.13
Rot. Bonds3

About N-(4-bromo-2-methylphenyl)-2,2-dimethylbutanamide

N-(4-bromo-2-methylphenyl)-2,2-dimethylbutanamide (PubChem CID 4634905) has the molecular formula C13H18BrNO and a molecular weight of 284.20 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-2,2-dimethylbutanamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-2,2-dimethylbutanamide
PubChem CID4634905
Molecular FormulaC13H18BrNO
Molecular Weight284.20 g/mol
Exact Mass283.06
IUPAC NameN-(4-bromo-2-methylphenyl)-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)Nc1ccc(Br)cc1C
InChIInChI=1S/C13H18BrNO/c1-5-13(3,4)12(16)15-11-7-6-10(14)8-9(11)2/h6-8H,5H2,1-4H3,(H,15,16)
InChIKeyXZTCSLBTTSYIQP-UHFFFAOYSA-N
XLogP4.13
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-amino-N-(4-bromo-2-methylphenyl)-2-methylbutanamide
CID 79791633
2-amino-N-(4-bromo-2-methylphenyl)-2-methylpentanamide
CID 60848199
N-(4-bromo-2-methylphenyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 22287259
N-(4-amino-2,5-dimethylphenyl)-2,2-dimethylbutanamide
CID 103144437
N-(2-bromo-5-methylphenyl)-2,2-dimethylbutanamide
CID 82706728
3-amino-N-(5-bromo-2-methylphenyl)-2,2-dimethylpropanamide
CID 115426300
2-amino-N-(4-bromo-2-methylphenyl)-2-cyclopropylpropanamide
CID 60866775
N-(4-bromo-2-methylphenyl)-3-(4-ethylpiperazin-1-yl)-2,2-dimethyl-3-oxopropanamide
CID 108960985
N-(3-bromophenyl)-2,2-dimethylbutanamide
CID 670009
N-(4-bromo-2-methylphenyl)-2,2-dimethyl-3-oxo-3-pyrrolidin-1-ylpropanamide
CID 108958504
N-(4-bromo-2-methylphenyl)-3,3,3-trifluoropropanamide
CID 24701652
[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methyl-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]azanium
CID 8790611

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-2,2-dimethylbutanamide?
The IUPAC name of N-(4-bromo-2-methylphenyl)-2,2-dimethylbutanamide (CID 4634905) is N-(4-bromo-2-methylphenyl)-2,2-dimethylbutanamide.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-2,2-dimethylbutanamide?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-2,2-dimethylbutanamide is CCC(C)(C)C(=O)Nc1ccc(Br)cc1C.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-2,2-dimethylbutanamide?
The InChIKey is XZTCSLBTTSYIQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO/c1-5-13(3,4)12(16)15-11-7-6-10(14)8-9(11)2/h6-8H,5H2,1-4H3,(H,15,16).
What are the key properties of N-(4-bromo-2-methylphenyl)-2,2-dimethylbutanamide?
N-(4-bromo-2-methylphenyl)-2,2-dimethylbutanamide has a molecular weight of 284.20 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylphenyl)-2,2-dimethylbutanamide is sourced from PubChem (CID 4634905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).