N-(4-bromo-3,5-dimethylphenyl)-3,3-dimethylbutanamide

C14H20BrNO — CID 107574880

IUPACN-(4-bromo-3,5-dimethylphenyl)-3,3-dimethylbutanamide
SMILESCc1cc(NC(=O)CC(C)(C)C)cc(C)c1Br
InChIInChI=1S/C14H20BrNO/c1-9-6-11(7-10(2)13(9)15)16-12(17)8-14(3,4)5/h6-7H,8H2,1-5H3,(H,16,17)
InChIKeyOMLWRZWMGQYLHA-UHFFFAOYSA-N
MW298.22 g/mol
LogP4.44
Rot. Bonds2

About N-(4-bromo-3,5-dimethylphenyl)-3,3-dimethylbutanamide

N-(4-bromo-3,5-dimethylphenyl)-3,3-dimethylbutanamide (PubChem CID 107574880) has the molecular formula C14H20BrNO and a molecular weight of 298.22 g/mol. Its IUPAC name is N-(4-bromo-3,5-dimethylphenyl)-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-(4-bromo-3,5-dimethylphenyl)-3,3-dimethylbutanamide
PubChem CID107574880
Molecular FormulaC14H20BrNO
Molecular Weight298.22 g/mol
Exact Mass297.07
IUPAC NameN-(4-bromo-3,5-dimethylphenyl)-3,3-dimethylbutanamide
SMILESCc1cc(NC(=O)CC(C)(C)C)cc(C)c1Br
InChIInChI=1S/C14H20BrNO/c1-9-6-11(7-10(2)13(9)15)16-12(17)8-14(3,4)5/h6-7H,8H2,1-5H3,(H,16,17)
InChIKeyOMLWRZWMGQYLHA-UHFFFAOYSA-N
XLogP4.44
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-amino-N-(4-bromo-3,5-dimethylphenyl)acetamide
CID 107574130
N-(3-bromophenyl)-3,3-dimethylbutanamide
CID 842233
5-bromo-N-(4-bromo-3,5-dimethylphenyl)pentanamide
CID 66818039
N-(6-chloro-5-methyl-3-pyridinyl)-3,3-dimethylbutanamide
CID 103730445
2-(4-bromo-3,5-dimethylanilino)-N-phenylacetamide
CID 107573643
2-(4-bromo-3,5-dimethylanilino)-N-(4-methylphenyl)acetamide
CID 107573574
N-(4-amino-3-bromophenyl)-3,3-dimethylbutanamide
CID 82861698
3-amino-N-(4-bromo-3,5-dimethylphenyl)pentanamide
CID 107574314
N-(4-bromo-3,5-dimethylphenyl)-3-(propan-2-ylamino)propanamide
CID 107574235
3-[(4-bromo-3,5-dimethylphenyl)carbamoylamino]-2,2-dimethylpropanoic acid
CID 107576363
N-(4-bromo-2-chloro-6-methylphenyl)-3,3-dimethylbutanamide
CID 58097339
4-(3,3-dimethylbutanoylamino)-2,6-difluorobenzoic acid
CID 114217265

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3,5-dimethylphenyl)-3,3-dimethylbutanamide?
The IUPAC name of N-(4-bromo-3,5-dimethylphenyl)-3,3-dimethylbutanamide (CID 107574880) is N-(4-bromo-3,5-dimethylphenyl)-3,3-dimethylbutanamide.
What is the SMILES notation for N-(4-bromo-3,5-dimethylphenyl)-3,3-dimethylbutanamide?
The canonical SMILES for N-(4-bromo-3,5-dimethylphenyl)-3,3-dimethylbutanamide is Cc1cc(NC(=O)CC(C)(C)C)cc(C)c1Br.
What is the InChIKey of N-(4-bromo-3,5-dimethylphenyl)-3,3-dimethylbutanamide?
The InChIKey is OMLWRZWMGQYLHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO/c1-9-6-11(7-10(2)13(9)15)16-12(17)8-14(3,4)5/h6-7H,8H2,1-5H3,(H,16,17).
What are the key properties of N-(4-bromo-3,5-dimethylphenyl)-3,3-dimethylbutanamide?
N-(4-bromo-3,5-dimethylphenyl)-3,3-dimethylbutanamide has a molecular weight of 298.22 g/mol, XLogP of 4.44, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3,5-dimethylphenyl)-3,3-dimethylbutanamide is sourced from PubChem (CID 107574880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).