4-bromo-N,N,2,5-tetramethylbenzamide

C11H14BrNO — CID 176915241

IUPAC4-bromo-N,N,2,5-tetramethylbenzamide
SMILESCc1cc(C(=O)N(C)C)c(C)cc1Br
InChIInChI=1S/C11H14BrNO/c1-7-6-10(12)8(2)5-9(7)11(14)13(3)4/h5-6H,1-4H3
InChIKeyNVVBDUZUIVUOKH-UHFFFAOYSA-N
MW256.14 g/mol
LogP2.77
Rot. Bonds1

About 4-bromo-N,N,2,5-tetramethylbenzamide

4-bromo-N,N,2,5-tetramethylbenzamide (PubChem CID 176915241) has the molecular formula C11H14BrNO and a molecular weight of 256.14 g/mol. Its IUPAC name is 4-bromo-N,N,2,5-tetramethylbenzamide.

Molecular Properties

Compound Name4-bromo-N,N,2,5-tetramethylbenzamide
PubChem CID176915241
Molecular FormulaC11H14BrNO
Molecular Weight256.14 g/mol
Exact Mass255.03
IUPAC Name4-bromo-N,N,2,5-tetramethylbenzamide
SMILESCc1cc(C(=O)N(C)C)c(C)cc1Br
InChIInChI=1S/C11H14BrNO/c1-7-6-10(12)8(2)5-9(7)11(14)13(3)4/h5-6H,1-4H3
InChIKeyNVVBDUZUIVUOKH-UHFFFAOYSA-N
XLogP2.77
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.14
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-N-methoxy-N,2,5-trimethylbenzamide
CID 123460356
5-bromo-2-fluoro-N,N,4-trimethylbenzamide
CID 146171178
4-bromo-2,5-dimethylbenzoic acid;ethane
CID 143667305
3-[(4-bromo-2,5-dimethylbenzoyl)-methylamino]-2-methylpropanoic acid
CID 120524139
3-[(4-bromo-2,5-dimethylbenzoyl)-propan-2-ylamino]propanoic acid
CID 120519957
4-bromo-N,2,5-trimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 146086220
2-[(4-bromo-2,5-dimethylbenzoyl)-(2-methoxyethyl)amino]acetic acid
CID 120516157
5-bromo-N,N,6-trimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 129393792
1-(2,5-dibromo-4-methylphenyl)-2,3-dimethylbutan-1-one
CID 81474226
4-fluoro-N,N,2-trimethylbenzamide
CID 115745346
N,N,2-trimethyl-5-sulfanylbenzamide
CID 107021651
2,5-dibromo-4-methylaniline
CID 15752291

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N,N,2,5-tetramethylbenzamide?
The IUPAC name of 4-bromo-N,N,2,5-tetramethylbenzamide (CID 176915241) is 4-bromo-N,N,2,5-tetramethylbenzamide.
What is the SMILES notation for 4-bromo-N,N,2,5-tetramethylbenzamide?
The canonical SMILES for 4-bromo-N,N,2,5-tetramethylbenzamide is Cc1cc(C(=O)N(C)C)c(C)cc1Br.
What is the InChIKey of 4-bromo-N,N,2,5-tetramethylbenzamide?
The InChIKey is NVVBDUZUIVUOKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO/c1-7-6-10(12)8(2)5-9(7)11(14)13(3)4/h5-6H,1-4H3.
What are the key properties of 4-bromo-N,N,2,5-tetramethylbenzamide?
4-bromo-N,N,2,5-tetramethylbenzamide has a molecular weight of 256.14 g/mol, XLogP of 2.77, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N,N,2,5-tetramethylbenzamide is sourced from PubChem (CID 176915241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).