N-(4-bromo-2,6-dimethylphenyl)-2-cyclobutylacetamide

C14H18BrNO — CID 103714250

IUPACN-(4-bromo-2,6-dimethylphenyl)-2-cyclobutylacetamide
SMILESCc1cc(Br)cc(C)c1NC(=O)CC1CCC1
InChIInChI=1S/C14H18BrNO/c1-9-6-12(15)7-10(2)14(9)16-13(17)8-11-4-3-5-11/h6-7,11H,3-5,8H2,1-2H3,(H,16,17)
InChIKeyVNXLMNWUGADCPV-UHFFFAOYSA-N
MW296.21 g/mol
LogP4.19
Rot. Bonds3

About N-(4-bromo-2,6-dimethylphenyl)-2-cyclobutylacetamide

N-(4-bromo-2,6-dimethylphenyl)-2-cyclobutylacetamide (PubChem CID 103714250) has the molecular formula C14H18BrNO and a molecular weight of 296.21 g/mol. Its IUPAC name is N-(4-bromo-2,6-dimethylphenyl)-2-cyclobutylacetamide.

Molecular Properties

Compound NameN-(4-bromo-2,6-dimethylphenyl)-2-cyclobutylacetamide
PubChem CID103714250
Molecular FormulaC14H18BrNO
Molecular Weight296.21 g/mol
Exact Mass295.06
IUPAC NameN-(4-bromo-2,6-dimethylphenyl)-2-cyclobutylacetamide
SMILESCc1cc(Br)cc(C)c1NC(=O)CC1CCC1
InChIInChI=1S/C14H18BrNO/c1-9-6-12(15)7-10(2)14(9)16-13(17)8-11-4-3-5-11/h6-7,11H,3-5,8H2,1-2H3,(H,16,17)
InChIKeyVNXLMNWUGADCPV-UHFFFAOYSA-N
XLogP4.19
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.21
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-amino-4-bromo-6-methylphenyl)-2-cycloheptylacetamide
CID 114457042
N-(4-bromo-2,6-dichlorophenyl)-2-cyclopentylacetamide
CID 68711978
2-(1-methylpiperidin-3-yl)-N-(2,4,6-trimethylphenyl)acetamide
CID 110858213
3-chloro-4-[(2-cyclobutylacetyl)amino]-5-methylbenzenesulfonyl chloride
CID 103164416
N-(4-bromo-3-methylphenyl)-2-cyclopentylacetamide
CID 2679466
N-(4-bromo-2,6-dimethylphenyl)-3-(oxan-2-yl)propanamide
CID 63939813
N-(4-bromo-2,6-dimethylphenyl)-3-(hydroxymethyl)piperidine-1-carboxamide
CID 110892772
2-cyclopentyl-N-[(2,4,6-trimethylphenyl)carbamothioyl]acetamide
CID 54786405
N-(4-bromo-2,6-dimethylphenyl)-2-methoxyacetamide
CID 60794685
N-(4-bromo-2-pyridinyl)-2-cyclobutylacetamide
CID 102674085
N-(5-bromo-2-chlorophenyl)-2-cyclobutylacetamide
CID 103707266
N-(4-bromo-2-methylphenyl)-2-piperidin-4-ylacetamide
CID 54910115

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,6-dimethylphenyl)-2-cyclobutylacetamide?
The IUPAC name of N-(4-bromo-2,6-dimethylphenyl)-2-cyclobutylacetamide (CID 103714250) is N-(4-bromo-2,6-dimethylphenyl)-2-cyclobutylacetamide.
What is the SMILES notation for N-(4-bromo-2,6-dimethylphenyl)-2-cyclobutylacetamide?
The canonical SMILES for N-(4-bromo-2,6-dimethylphenyl)-2-cyclobutylacetamide is Cc1cc(Br)cc(C)c1NC(=O)CC1CCC1.
What is the InChIKey of N-(4-bromo-2,6-dimethylphenyl)-2-cyclobutylacetamide?
The InChIKey is VNXLMNWUGADCPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO/c1-9-6-12(15)7-10(2)14(9)16-13(17)8-11-4-3-5-11/h6-7,11H,3-5,8H2,1-2H3,(H,16,17).
What are the key properties of N-(4-bromo-2,6-dimethylphenyl)-2-cyclobutylacetamide?
N-(4-bromo-2,6-dimethylphenyl)-2-cyclobutylacetamide has a molecular weight of 296.21 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,6-dimethylphenyl)-2-cyclobutylacetamide is sourced from PubChem (CID 103714250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).