2-bromo-N,N-dimethyl-5-propan-2-ylbenzamide

C12H16BrNO — CID 58917000

IUPAC2-bromo-N,N-dimethyl-5-propan-2-ylbenzamide
SMILESCC(C)c1ccc(Br)c(C(=O)N(C)C)c1
InChIInChI=1S/C12H16BrNO/c1-8(2)9-5-6-11(13)10(7-9)12(15)14(3)4/h5-8H,1-4H3
InChIKeyUUNJWHVDLRUDRR-UHFFFAOYSA-N
MW270.17 g/mol
LogP3.27
Rot. Bonds2

About 2-bromo-N,N-dimethyl-5-propan-2-ylbenzamide

2-bromo-N,N-dimethyl-5-propan-2-ylbenzamide (PubChem CID 58917000) has the molecular formula C12H16BrNO and a molecular weight of 270.17 g/mol. Its IUPAC name is 2-bromo-N,N-dimethyl-5-propan-2-ylbenzamide.

Molecular Properties

Compound Name2-bromo-N,N-dimethyl-5-propan-2-ylbenzamide
PubChem CID58917000
Molecular FormulaC12H16BrNO
Molecular Weight270.17 g/mol
Exact Mass269.04
IUPAC Name2-bromo-N,N-dimethyl-5-propan-2-ylbenzamide
SMILESCC(C)c1ccc(Br)c(C(=O)N(C)C)c1
InChIInChI=1S/C12H16BrNO/c1-8(2)9-5-6-11(13)10(7-9)12(15)14(3)4/h5-8H,1-4H3
InChIKeyUUNJWHVDLRUDRR-UHFFFAOYSA-N
XLogP3.27
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-5-chloro-N,N-dimethylbenzamide
CID 78851053
1-(2-bromo-5-propan-2-ylphenyl)-2-chloroethanone
CID 83988532
N,N-dimethyl-5-propan-2-yl-1H-indole-7-carboxamide
CID 138530794
N-(2-bromo-5-propan-2-ylphenyl)acetamide
CID 117060423
2-bromo-N,5-dimethyl-N-(3-methylbutan-2-yl)benzamide
CID 80979920
2-bromo-5-(difluoromethyl)benzoic acid
CID 84707310
2-[(2-bromo-5-methylbenzoyl)-methylamino]propanoic acid
CID 81110546
2,5-dibromo-N-(2-bromopropyl)-N-methylbenzamide
CID 114375651
N,N-dimethyl-6-propan-2-yl-1H-indole-2-carboxamide
CID 47186797
N,N-dimethyl-4-propan-2-ylpyridine-2-carboxamide;ethane;propane
CID 160778205
2-bromo-N,5-dimethyl-N-(2-methylpropyl)benzamide
CID 80980455
2-bromo-N-[1-(4-fluorophenyl)ethyl]-5-methoxy-N-methylbenzamide
CID 18102328

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N,N-dimethyl-5-propan-2-ylbenzamide?
The IUPAC name of 2-bromo-N,N-dimethyl-5-propan-2-ylbenzamide (CID 58917000) is 2-bromo-N,N-dimethyl-5-propan-2-ylbenzamide.
What is the SMILES notation for 2-bromo-N,N-dimethyl-5-propan-2-ylbenzamide?
The canonical SMILES for 2-bromo-N,N-dimethyl-5-propan-2-ylbenzamide is CC(C)c1ccc(Br)c(C(=O)N(C)C)c1.
What is the InChIKey of 2-bromo-N,N-dimethyl-5-propan-2-ylbenzamide?
The InChIKey is UUNJWHVDLRUDRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO/c1-8(2)9-5-6-11(13)10(7-9)12(15)14(3)4/h5-8H,1-4H3.
What are the key properties of 2-bromo-N,N-dimethyl-5-propan-2-ylbenzamide?
2-bromo-N,N-dimethyl-5-propan-2-ylbenzamide has a molecular weight of 270.17 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N,N-dimethyl-5-propan-2-ylbenzamide is sourced from PubChem (CID 58917000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).