3-bromo-N,4-dimethyl-N-pentan-3-ylbenzamide

C14H20BrNO — CID 79466930

IUPAC3-bromo-N,4-dimethyl-N-pentan-3-ylbenzamide
SMILESCCC(CC)N(C)C(=O)c1ccc(C)c(Br)c1
InChIInChI=1S/C14H20BrNO/c1-5-12(6-2)16(4)14(17)11-8-7-10(3)13(15)9-11/h7-9,12H,5-6H2,1-4H3
InChIKeyPSTZHPXKUSKLPQ-UHFFFAOYSA-N
MW298.22 g/mol
LogP4.02
Rot. Bonds4

About 3-bromo-N,4-dimethyl-N-pentan-3-ylbenzamide

3-bromo-N,4-dimethyl-N-pentan-3-ylbenzamide (PubChem CID 79466930) has the molecular formula C14H20BrNO and a molecular weight of 298.22 g/mol. Its IUPAC name is 3-bromo-N,4-dimethyl-N-pentan-3-ylbenzamide.

Molecular Properties

Compound Name3-bromo-N,4-dimethyl-N-pentan-3-ylbenzamide
PubChem CID79466930
Molecular FormulaC14H20BrNO
Molecular Weight298.22 g/mol
Exact Mass297.07
IUPAC Name3-bromo-N,4-dimethyl-N-pentan-3-ylbenzamide
SMILESCCC(CC)N(C)C(=O)c1ccc(C)c(Br)c1
InChIInChI=1S/C14H20BrNO/c1-5-12(6-2)16(4)14(17)11-8-7-10(3)13(15)9-11/h7-9,12H,5-6H2,1-4H3
InChIKeyPSTZHPXKUSKLPQ-UHFFFAOYSA-N
XLogP4.02
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-hydroxy-N,4-dimethyl-N-pentan-3-ylbenzamide
CID 43571474
3-bromo-N-(1-chloropropan-2-yl)-N,4-dimethylbenzamide
CID 104555602
3-amino-N,4-dimethyl-N-pentan-3-ylbenzamide
CID 43570555
4-hydroxy-N,3-dimethyl-N-pentan-3-ylbenzamide
CID 103956399
4-fluoro-N,3-dimethyl-N-pentan-3-ylbenzamide
CID 63212442
4-amino-3-bromo-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide
CID 112659238
3-bromo-N-ethyl-4-methyl-N-propan-2-ylbenzamide
CID 79466412
3-bromo-N-[1-(2-fluorophenyl)ethyl]-N,4-dimethylbenzamide
CID 81458555
3-amino-N,4-dimethyl-N-(1-methylsulfanylbutan-2-yl)benzamide
CID 112656391
4-(bromomethyl)-N-methyl-N-pentan-3-ylbenzamide
CID 102851011
N-(2-amino-2-oxoethyl)-3-bromo-N,4-dimethylbenzamide
CID 79466936
2-bromo-N,5-dimethyl-N-pentan-3-ylbenzamide
CID 80979017

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N,4-dimethyl-N-pentan-3-ylbenzamide?
The IUPAC name of 3-bromo-N,4-dimethyl-N-pentan-3-ylbenzamide (CID 79466930) is 3-bromo-N,4-dimethyl-N-pentan-3-ylbenzamide.
What is the SMILES notation for 3-bromo-N,4-dimethyl-N-pentan-3-ylbenzamide?
The canonical SMILES for 3-bromo-N,4-dimethyl-N-pentan-3-ylbenzamide is CCC(CC)N(C)C(=O)c1ccc(C)c(Br)c1.
What is the InChIKey of 3-bromo-N,4-dimethyl-N-pentan-3-ylbenzamide?
The InChIKey is PSTZHPXKUSKLPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO/c1-5-12(6-2)16(4)14(17)11-8-7-10(3)13(15)9-11/h7-9,12H,5-6H2,1-4H3.
What are the key properties of 3-bromo-N,4-dimethyl-N-pentan-3-ylbenzamide?
3-bromo-N,4-dimethyl-N-pentan-3-ylbenzamide has a molecular weight of 298.22 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N,4-dimethyl-N-pentan-3-ylbenzamide is sourced from PubChem (CID 79466930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).