4-[2-(bromomethyl)pentoxy]benzamide

C13H18BrNO2 — CID 65011499

IUPAC4-[2-(bromomethyl)pentoxy]benzamide
SMILESCCCC(CBr)COc1ccc(C(N)=O)cc1
InChIInChI=1S/C13H18BrNO2/c1-2-3-10(8-14)9-17-12-6-4-11(5-7-12)13(15)16/h4-7,10H,2-3,8-9H2,1H3,(H2,15,16)
InChIKeyOXUJAPFECSZULR-UHFFFAOYSA-N
MW300.20 g/mol
LogP2.98
Rot. Bonds7

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

4-[2-(bromomethyl)pentoxy]benzamide (PubChem CID 65011499) has the molecular formula C13H18BrNO2 and a molecular weight of 300.20 g/mol. Its IUPAC name is 4-[2-(bromomethyl)pentoxy]benzamide.

Molecular Properties

Compound Name4-[2-(bromomethyl)pentoxy]benzamide
PubChem CID65011499
Molecular FormulaC13H18BrNO2
Molecular Weight300.20 g/mol
Exact Mass299.05
IUPAC Name4-[2-(bromomethyl)pentoxy]benzamide
SMILESCCCC(CBr)COc1ccc(C(N)=O)cc1
InChIInChI=1S/C13H18BrNO2/c1-2-3-10(8-14)9-17-12-6-4-11(5-7-12)13(15)16/h4-7,10H,2-3,8-9H2,1H3,(H2,15,16)
InChIKeyOXUJAPFECSZULR-UHFFFAOYSA-N
XLogP2.98
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(bromomethyl)-3-methylbutoxy]benzamide
CID 65011599
1-bromo-4-[2-(bromomethyl)pentoxy]benzene
CID 65010976
4-(2-sulfanylpropoxy)benzamide
CID 137429548
1-[4-[2-(bromomethyl)pentoxy]-3-methoxyphenyl]ethanone
CID 65010866
4-(4-propoxyphenyl)benzamide
CID 23771495
4-[2-(bromomethyl)-2-propylpentoxy]benzamide
CID 65005743
4-(4-ethoxyphenyl)benzamide
CID 163572533
1-[2-(bromomethyl)pentoxy]-3,5-difluorobenzene
CID 65010768
4-[2-(bromomethyl)-2-ethylbutoxy]benzamide
CID 64998999
ethyl 4-(2-ethylbutoxy)benzoate
CID 82926863
2-amino-5-(2-methylpentoxy)benzamide
CID 103284498
2-[(4-bromophenoxy)methyl]pentane-1-sulfonamide
CID 65013265

Frequently Asked Questions

What is the IUPAC name of 4-[2-(bromomethyl)pentoxy]benzamide?
The IUPAC name of 4-[2-(bromomethyl)pentoxy]benzamide (CID 65011499) is 4-[2-(bromomethyl)pentoxy]benzamide.
What is the SMILES notation for 4-[2-(bromomethyl)pentoxy]benzamide?
The canonical SMILES for 4-[2-(bromomethyl)pentoxy]benzamide is CCCC(CBr)COc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[2-(bromomethyl)pentoxy]benzamide?
The InChIKey is OXUJAPFECSZULR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO2/c1-2-3-10(8-14)9-17-12-6-4-11(5-7-12)13(15)16/h4-7,10H,2-3,8-9H2,1H3,(H2,15,16).
What are the key properties of 4-[2-(bromomethyl)pentoxy]benzamide?
4-[2-(bromomethyl)pentoxy]benzamide has a molecular weight of 300.20 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(bromomethyl)pentoxy]benzamide is sourced from PubChem (CID 65011499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).