2-bromo-N,5-dimethyl-N-pentan-3-ylbenzamide

C14H20BrNO — CID 80979017

IUPAC2-bromo-N,5-dimethyl-N-pentan-3-ylbenzamide
SMILESCCC(CC)N(C)C(=O)c1cc(C)ccc1Br
InChIInChI=1S/C14H20BrNO/c1-5-11(6-2)16(4)14(17)12-9-10(3)7-8-13(12)15/h7-9,11H,5-6H2,1-4H3
InChIKeyGEDNDHNTKWZBJM-UHFFFAOYSA-N
MW298.22 g/mol
LogP4.02
Rot. Bonds4

About 2-bromo-N,5-dimethyl-N-pentan-3-ylbenzamide

2-bromo-N,5-dimethyl-N-pentan-3-ylbenzamide (PubChem CID 80979017) has the molecular formula C14H20BrNO and a molecular weight of 298.22 g/mol. Its IUPAC name is 2-bromo-N,5-dimethyl-N-pentan-3-ylbenzamide.

Molecular Properties

Compound Name2-bromo-N,5-dimethyl-N-pentan-3-ylbenzamide
PubChem CID80979017
Molecular FormulaC14H20BrNO
Molecular Weight298.22 g/mol
Exact Mass297.07
IUPAC Name2-bromo-N,5-dimethyl-N-pentan-3-ylbenzamide
SMILESCCC(CC)N(C)C(=O)c1cc(C)ccc1Br
InChIInChI=1S/C14H20BrNO/c1-5-11(6-2)16(4)14(17)12-9-10(3)7-8-13(12)15/h7-9,11H,5-6H2,1-4H3
InChIKeyGEDNDHNTKWZBJM-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

2-bromo-N,5-dimethyl-N-(3-methylbutan-2-yl)benzamide
CID 80979920
2-bromo-N-methyl-N-pentan-3-ylbenzamide
CID 43571450
2-[(2-bromo-5-methylbenzoyl)-methylamino]propanoic acid
CID 81110546
2-bromo-N,5-dimethyl-N-(2-methylpropyl)benzamide
CID 80980455
2-bromo-N-(2-bromoethyl)-N,5-dimethylbenzamide
CID 81117833
3-bromo-N,4-dimethyl-N-pentan-3-ylbenzamide
CID 79466930
2-bromo-N-[2-(dimethylamino)ethyl]-5-methyl-N-propylbenzamide
CID 81005126
2-bromo-N-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-N,5-dimethylbenzamide
CID 100681249
2-bromo-N,N-bis(2-hydroxyethyl)-5-methylbenzamide
CID 81109663
2-bromo-N,5-dimethyl-N-(2-methylprop-2-enyl)benzamide
CID 115968411
2-bromo-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide
CID 112551572
2-bromo-5-methyl-N-pentyl-N-propan-2-ylbenzamide
CID 81109662

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N,5-dimethyl-N-pentan-3-ylbenzamide?
The IUPAC name of 2-bromo-N,5-dimethyl-N-pentan-3-ylbenzamide (CID 80979017) is 2-bromo-N,5-dimethyl-N-pentan-3-ylbenzamide.
What is the SMILES notation for 2-bromo-N,5-dimethyl-N-pentan-3-ylbenzamide?
The canonical SMILES for 2-bromo-N,5-dimethyl-N-pentan-3-ylbenzamide is CCC(CC)N(C)C(=O)c1cc(C)ccc1Br.
What is the InChIKey of 2-bromo-N,5-dimethyl-N-pentan-3-ylbenzamide?
The InChIKey is GEDNDHNTKWZBJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO/c1-5-11(6-2)16(4)14(17)12-9-10(3)7-8-13(12)15/h7-9,11H,5-6H2,1-4H3.
What are the key properties of 2-bromo-N,5-dimethyl-N-pentan-3-ylbenzamide?
2-bromo-N,5-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 2-bromo-N,5-dimethyl-N-pentan-3-ylbenzamide is sourced from PubChem (CID 80979017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).