N-(2-bromo-5-methylphenyl)-2,2-dimethylbutanamide

C13H18BrNO — CID 82706728

IUPACN-(2-bromo-5-methylphenyl)-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)Nc1cc(C)ccc1Br
InChIInChI=1S/C13H18BrNO/c1-5-13(3,4)12(16)15-11-8-9(2)6-7-10(11)14/h6-8H,5H2,1-4H3,(H,15,16)
InChIKeyPULNSJXKBDIWTF-UHFFFAOYSA-N
MW284.20 g/mol
LogP4.13
Rot. Bonds3

About N-(2-bromo-5-methylphenyl)-2,2-dimethylbutanamide

N-(2-bromo-5-methylphenyl)-2,2-dimethylbutanamide (PubChem CID 82706728) has the molecular formula C13H18BrNO and a molecular weight of 284.20 g/mol. Its IUPAC name is N-(2-bromo-5-methylphenyl)-2,2-dimethylbutanamide.

Molecular Properties

Compound NameN-(2-bromo-5-methylphenyl)-2,2-dimethylbutanamide
PubChem CID82706728
Molecular FormulaC13H18BrNO
Molecular Weight284.20 g/mol
Exact Mass283.06
IUPAC NameN-(2-bromo-5-methylphenyl)-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)Nc1cc(C)ccc1Br
InChIInChI=1S/C13H18BrNO/c1-5-13(3,4)12(16)15-11-8-9(2)6-7-10(11)14/h6-8H,5H2,1-4H3,(H,15,16)
InChIKeyPULNSJXKBDIWTF-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

N-(2-bromo-5-methylphenyl)-2-hydroxy-2-methylpropanamide
CID 103430310
2-(aminomethyl)-N-(2-bromo-5-methylphenyl)-2-ethylbutanamide
CID 82757220
2-amino-N-(2-bromo-5-methylphenyl)-2-methylpentanamide
CID 82757643
N-(4-bromo-2-methylphenyl)-2,2-dimethylbutanamide
CID 4634905
(3Z)-3-amino-N-(2-bromo-5-methylphenyl)-3-hydroxyimino-2,2-dimethylpropanamide
CID 82767181
2,2-dimethyl-N-(3-methylphenyl)butanamide
CID 669985
(2-bromo-5-methylphenyl)urea
CID 82707313
3-(2-bromo-5-methylanilino)-3-oxopropanoic acid
CID 82758877
ethyl 2-[(2-bromo-5-methylphenyl)carbamoyl]-3,3-dimethylbutanoate
CID 116538239
1-(2-bromo-5-methylanilino)-2-methylbutan-2-ol
CID 114493488
N-(5-bromo-6-methyl-2-pyridinyl)-2,2-dimethylbutanamide
CID 69165507
N-[2-(3-aminoprop-1-ynyl)-4-methylphenyl]-2,2-dimethylbutanamide
CID 62677312

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-methylphenyl)-2,2-dimethylbutanamide?
The IUPAC name of N-(2-bromo-5-methylphenyl)-2,2-dimethylbutanamide (CID 82706728) is N-(2-bromo-5-methylphenyl)-2,2-dimethylbutanamide.
What is the SMILES notation for N-(2-bromo-5-methylphenyl)-2,2-dimethylbutanamide?
The canonical SMILES for N-(2-bromo-5-methylphenyl)-2,2-dimethylbutanamide is CCC(C)(C)C(=O)Nc1cc(C)ccc1Br.
What is the InChIKey of N-(2-bromo-5-methylphenyl)-2,2-dimethylbutanamide?
The InChIKey is PULNSJXKBDIWTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO/c1-5-13(3,4)12(16)15-11-8-9(2)6-7-10(11)14/h6-8H,5H2,1-4H3,(H,15,16).
What are the key properties of N-(2-bromo-5-methylphenyl)-2,2-dimethylbutanamide?
N-(2-bromo-5-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-(2-bromo-5-methylphenyl)-2,2-dimethylbutanamide is sourced from PubChem (CID 82706728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).