4-[2-(bromomethyl)-2-propylpentoxy]benzamide

C16H24BrNO2 — CID 65005743

IUPAC4-[2-(bromomethyl)-2-propylpentoxy]benzamide
SMILESCCCC(CBr)(CCC)COc1ccc(C(N)=O)cc1
InChIInChI=1S/C16H24BrNO2/c1-3-9-16(11-17,10-4-2)12-20-14-7-5-13(6-8-14)15(18)19/h5-8H,3-4,9-12H2,1-2H3,(H2,18,19)
InChIKeyCLAKJTPIQUJRBP-UHFFFAOYSA-N
MW342.28 g/mol
LogP4.15
Rot. Bonds9

About 4-[2-(bromomethyl)-2-propylpentoxy]benzamide

4-[2-(bromomethyl)-2-propylpentoxy]benzamide (PubChem CID 65005743) has the molecular formula C16H24BrNO2 and a molecular weight of 342.28 g/mol. Its IUPAC name is 4-[2-(bromomethyl)-2-propylpentoxy]benzamide.

Molecular Properties

Compound Name4-[2-(bromomethyl)-2-propylpentoxy]benzamide
PubChem CID65005743
Molecular FormulaC16H24BrNO2
Molecular Weight342.28 g/mol
Exact Mass341.10
IUPAC Name4-[2-(bromomethyl)-2-propylpentoxy]benzamide
SMILESCCCC(CBr)(CCC)COc1ccc(C(N)=O)cc1
InChIInChI=1S/C16H24BrNO2/c1-3-9-16(11-17,10-4-2)12-20-14-7-5-13(6-8-14)15(18)19/h5-8H,3-4,9-12H2,1-2H3,(H2,18,19)
InChIKeyCLAKJTPIQUJRBP-UHFFFAOYSA-N
XLogP4.15
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.28
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[2-(bromomethyl)-2-propylpentoxy]benzamide 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

4-[2-(bromomethyl)-2-ethylbutoxy]benzamide
CID 64998999
methyl 4-[2-(bromomethyl)-2-propylpentoxy]benzoate
CID 65006433
methyl 3-[2-(bromomethyl)-2-propylpentoxy]benzoate
CID 65006479
1-[2-(bromomethyl)-2-propylpentoxy]-4-(2-methoxyethyl)benzene
CID 65006234
4-(4-propoxyphenyl)benzamide
CID 23771495
4-[2-(bromomethyl)pentoxy]benzamide
CID 65011499
4-(4-ethoxyphenyl)benzamide
CID 163572533
1-[2-(bromomethyl)-2-propylpentoxy]-3-methoxybenzene
CID 65005885
1-[4-[2-(bromomethyl)-2-ethylbutoxy]phenyl]propan-2-one
CID 113322922
1-[2-(bromomethyl)-2-ethylbutoxy]-4-ethoxybenzene
CID 64998942
4-[(4-propoxyphenoxy)methyl]benzamide
CID 24605968
benzamide;1,4-diethoxybenzene
CID 162120306

Frequently Asked Questions

What is the IUPAC name of 4-[2-(bromomethyl)-2-propylpentoxy]benzamide?
The IUPAC name of 4-[2-(bromomethyl)-2-propylpentoxy]benzamide (CID 65005743) is 4-[2-(bromomethyl)-2-propylpentoxy]benzamide.
What is the SMILES notation for 4-[2-(bromomethyl)-2-propylpentoxy]benzamide?
The canonical SMILES for 4-[2-(bromomethyl)-2-propylpentoxy]benzamide is CCCC(CBr)(CCC)COc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[2-(bromomethyl)-2-propylpentoxy]benzamide?
The InChIKey is CLAKJTPIQUJRBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO2/c1-3-9-16(11-17,10-4-2)12-20-14-7-5-13(6-8-14)15(18)19/h5-8H,3-4,9-12H2,1-2H3,(H2,18,19).
What are the key properties of 4-[2-(bromomethyl)-2-propylpentoxy]benzamide?
4-[2-(bromomethyl)-2-propylpentoxy]benzamide has a molecular weight of 342.28 g/mol, XLogP of 4.15, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(bromomethyl)-2-propylpentoxy]benzamide is sourced from PubChem (CID 65005743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).