2-bromo-3-methyl-N-pentyl-N-propan-2-ylbenzamide

C16H24BrNO — CID 107982464

IUPAC2-bromo-3-methyl-N-pentyl-N-propan-2-ylbenzamide
SMILESCCCCCN(C(=O)c1cccc(C)c1Br)C(C)C
InChIInChI=1S/C16H24BrNO/c1-5-6-7-11-18(12(2)3)16(19)14-10-8-9-13(4)15(14)17/h8-10,12H,5-7,11H2,1-4H3
InChIKeyJBPLUXXOOJPHMV-UHFFFAOYSA-N
MW326.28 g/mol
LogP4.80
Rot. Bonds6

About 2-bromo-3-methyl-N-pentyl-N-propan-2-ylbenzamide

2-bromo-3-methyl-N-pentyl-N-propan-2-ylbenzamide (PubChem CID 107982464) has the molecular formula C16H24BrNO and a molecular weight of 326.28 g/mol. Its IUPAC name is 2-bromo-3-methyl-N-pentyl-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name2-bromo-3-methyl-N-pentyl-N-propan-2-ylbenzamide
PubChem CID107982464
Molecular FormulaC16H24BrNO
Molecular Weight326.28 g/mol
Exact Mass325.10
IUPAC Name2-bromo-3-methyl-N-pentyl-N-propan-2-ylbenzamide
SMILESCCCCCN(C(=O)c1cccc(C)c1Br)C(C)C
InChIInChI=1S/C16H24BrNO/c1-5-6-7-11-18(12(2)3)16(19)14-10-8-9-13(4)15(14)17/h8-10,12H,5-7,11H2,1-4H3
InChIKeyJBPLUXXOOJPHMV-UHFFFAOYSA-N
XLogP4.80
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-bromo-3-methyl-N-pentyl-N-propan-2-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-(3-bromopropyl)-3-methyl-N-propan-2-ylbenzamide
CID 107983921
2-bromo-N-hexyl-N-(2-hydroxyethyl)-3-methylbenzamide
CID 103853368
2-bromo-5-methyl-N-pentyl-N-propan-2-ylbenzamide
CID 81109662
2-amino-3-chloro-N-pentyl-N-propan-2-ylbenzamide
CID 115540290
N-(3-aminopropyl)-2-methyl-N-propan-2-ylbenzamide
CID 43136684
N-pentyl-N-propan-2-yl-2-(propylamino)benzamide
CID 62174124
2-bromo-N-(1-bromopropan-2-yl)-N,3-dimethylbenzamide
CID 107984024
4-amino-3-methyl-N-pentyl-N-propan-2-ylbenzamide
CID 54905965
2-(methylamino)-N-pentyl-N-propan-2-ylpyridine-3-carboxamide
CID 62174306
2-bromo-3-methyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 107983263
2-hydrazinyl-N-pentyl-N-propan-2-ylpyridine-3-carboxamide
CID 62247512
2-chloro-N-pentyl-N-propan-2-yl-5-sulfanylbenzamide
CID 107026400

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-methyl-N-pentyl-N-propan-2-ylbenzamide?
The IUPAC name of 2-bromo-3-methyl-N-pentyl-N-propan-2-ylbenzamide (CID 107982464) is 2-bromo-3-methyl-N-pentyl-N-propan-2-ylbenzamide.
What is the SMILES notation for 2-bromo-3-methyl-N-pentyl-N-propan-2-ylbenzamide?
The canonical SMILES for 2-bromo-3-methyl-N-pentyl-N-propan-2-ylbenzamide is CCCCCN(C(=O)c1cccc(C)c1Br)C(C)C.
What is the InChIKey of 2-bromo-3-methyl-N-pentyl-N-propan-2-ylbenzamide?
The InChIKey is JBPLUXXOOJPHMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO/c1-5-6-7-11-18(12(2)3)16(19)14-10-8-9-13(4)15(14)17/h8-10,12H,5-7,11H2,1-4H3.
What are the key properties of 2-bromo-3-methyl-N-pentyl-N-propan-2-ylbenzamide?
2-bromo-3-methyl-N-pentyl-N-propan-2-ylbenzamide has a molecular weight of 326.28 g/mol, XLogP of 4.80, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-methyl-N-pentyl-N-propan-2-ylbenzamide is sourced from PubChem (CID 107982464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).