2-bromo-N-methyl-N-pentan-3-ylbenzamide

C13H18BrNO — CID 43571450

IUPAC2-bromo-N-methyl-N-pentan-3-ylbenzamide
SMILESCCC(CC)N(C)C(=O)c1ccccc1Br
InChIInChI=1S/C13H18BrNO/c1-4-10(5-2)15(3)13(16)11-8-6-7-9-12(11)14/h6-10H,4-5H2,1-3H3
InChIKeyLAWGHTZUMBRETJ-UHFFFAOYSA-N
MW284.20 g/mol
LogP3.71
Rot. Bonds4

About 2-bromo-N-methyl-N-pentan-3-ylbenzamide

2-bromo-N-methyl-N-pentan-3-ylbenzamide (PubChem CID 43571450) has the molecular formula C13H18BrNO and a molecular weight of 284.20 g/mol. Its IUPAC name is 2-bromo-N-methyl-N-pentan-3-ylbenzamide.

Molecular Properties

Compound Name2-bromo-N-methyl-N-pentan-3-ylbenzamide
PubChem CID43571450
Molecular FormulaC13H18BrNO
Molecular Weight284.20 g/mol
Exact Mass283.06
IUPAC Name2-bromo-N-methyl-N-pentan-3-ylbenzamide
SMILESCCC(CC)N(C)C(=O)c1ccccc1Br
InChIInChI=1S/C13H18BrNO/c1-4-10(5-2)15(3)13(16)11-8-6-7-9-12(11)14/h6-10H,4-5H2,1-3H3
InChIKeyLAWGHTZUMBRETJ-UHFFFAOYSA-N
XLogP3.71
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-bromo-N-methyl-N-pentan-3-ylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide
CID 112551572
2-bromo-N,5-dimethyl-N-pentan-3-ylbenzamide
CID 80979017
2-bromo-N-ethyl-N-methylbenzamide
CID 43243486
3-bromo-N-methyl-N-pentan-3-ylpyridine-2-carboxamide
CID 107517936
2-bromo-N-(1-cyclopropylethyl)-N-methylbenzamide
CID 43420538
2-[methyl(1-methylsulfanylbutan-2-yl)carbamoyl]benzoic acid
CID 112657921
2-bromo-N-tert-butyl-N-methylbenzamide
CID 4597758
2-bromo-N-methoxy-N-methylbenzamide
CID 46318655
2-bromo-N,N-dibutylbenzamide
CID 2843235
2-bromo-N-[2-(dimethylamino)propyl]benzamide
CID 60748459
3-bromo-N,4-dimethyl-N-pentan-3-ylbenzamide
CID 79466930
2-bromo-N-butan-2-yl-N-(2-methoxyethyl)benzamide
CID 54945937

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-methyl-N-pentan-3-ylbenzamide?
The IUPAC name of 2-bromo-N-methyl-N-pentan-3-ylbenzamide (CID 43571450) is 2-bromo-N-methyl-N-pentan-3-ylbenzamide.
What is the SMILES notation for 2-bromo-N-methyl-N-pentan-3-ylbenzamide?
The canonical SMILES for 2-bromo-N-methyl-N-pentan-3-ylbenzamide is CCC(CC)N(C)C(=O)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-methyl-N-pentan-3-ylbenzamide?
The InChIKey is LAWGHTZUMBRETJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO/c1-4-10(5-2)15(3)13(16)11-8-6-7-9-12(11)14/h6-10H,4-5H2,1-3H3.
What are the key properties of 2-bromo-N-methyl-N-pentan-3-ylbenzamide?
2-bromo-N-methyl-N-pentan-3-ylbenzamide has a molecular weight of 284.20 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-methyl-N-pentan-3-ylbenzamide is sourced from PubChem (CID 43571450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).