3-bromo-5-chloro-N-(3-imidazol-1-ylpropyl)benzamide

C13H13BrClN3O — CID 103826381

IUPAC3-bromo-5-chloro-N-(3-imidazol-1-ylpropyl)benzamide
SMILESO=C(NCCCn1ccnc1)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C13H13BrClN3O/c14-11-6-10(7-12(15)8-11)13(19)17-2-1-4-18-5-3-16-9-18/h3,5-9H,1-2,4H2,(H,17,19)
InChIKeyFOMZPSDKPIQZQW-UHFFFAOYSA-N
MW342.62 g/mol
LogP3.12
Rot. Bonds5

About 3-bromo-5-chloro-N-(3-imidazol-1-ylpropyl)benzamide

3-bromo-5-chloro-N-(3-imidazol-1-ylpropyl)benzamide (PubChem CID 103826381) has the molecular formula C13H13BrClN3O and a molecular weight of 342.62 g/mol. Its IUPAC name is 3-bromo-5-chloro-N-(3-imidazol-1-ylpropyl)benzamide.

Molecular Properties

Compound Name3-bromo-5-chloro-N-(3-imidazol-1-ylpropyl)benzamide
PubChem CID103826381
Molecular FormulaC13H13BrClN3O
Molecular Weight342.62 g/mol
Exact Mass340.99
IUPAC Name3-bromo-5-chloro-N-(3-imidazol-1-ylpropyl)benzamide
SMILESO=C(NCCCn1ccnc1)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C13H13BrClN3O/c14-11-6-10(7-12(15)8-11)13(19)17-2-1-4-18-5-3-16-9-18/h3,5-9H,1-2,4H2,(H,17,19)
InChIKeyFOMZPSDKPIQZQW-UHFFFAOYSA-N
XLogP3.12
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.62
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,5-dibromo-N-(2-imidazol-1-ylethyl)benzamide
CID 103907789
5-bromo-N-(3-imidazol-1-ylpropyl)pyridine-3-carboxamide
CID 51155858
2-amino-6-chloro-N-(3-imidazol-1-ylpropyl)pyridine-4-carboxamide
CID 55042022
5-bromo-2-chloro-N-(3-imidazol-1-ylpropyl)benzamide
CID 2970837
2-chloro-6-hydrazinyl-N-(3-imidazol-1-ylpropyl)pyridine-4-carboxamide
CID 62242563
4-bromo-N-(3-imidazol-1-ylpropyl)-3,5-dimethoxybenzamide
CID 51250642
3,5-ditert-butyl-N-(3-imidazol-1-ylpropyl)benzamide chloride
CID 53352599
4-bromo-N-(3-imidazol-1-ylpropyl)-1-propylpyrrole-2-carboxamide
CID 43641423
2-chloro-N-(4-imidazol-1-ylbutyl)-6-(methylamino)pyridine-4-carboxamide
CID 62173721
3-chloro-4-ethoxy-N-(3-imidazol-1-ylpropyl)-5-methoxybenzamide
CID 51155753
3-(chloromethyl)-N-(3-imidazol-1-ylpropyl)benzamide
CID 43333555
4-amino-N-(3-imidazol-1-ylpropyl)-3-methylbenzamide
CID 28993545

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-N-(3-imidazol-1-ylpropyl)benzamide?
The IUPAC name of 3-bromo-5-chloro-N-(3-imidazol-1-ylpropyl)benzamide (CID 103826381) is 3-bromo-5-chloro-N-(3-imidazol-1-ylpropyl)benzamide.
What is the SMILES notation for 3-bromo-5-chloro-N-(3-imidazol-1-ylpropyl)benzamide?
The canonical SMILES for 3-bromo-5-chloro-N-(3-imidazol-1-ylpropyl)benzamide is O=C(NCCCn1ccnc1)c1cc(Cl)cc(Br)c1.
What is the InChIKey of 3-bromo-5-chloro-N-(3-imidazol-1-ylpropyl)benzamide?
The InChIKey is FOMZPSDKPIQZQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrClN3O/c14-11-6-10(7-12(15)8-11)13(19)17-2-1-4-18-5-3-16-9-18/h3,5-9H,1-2,4H2,(H,17,19).
What are the key properties of 3-bromo-5-chloro-N-(3-imidazol-1-ylpropyl)benzamide?
3-bromo-5-chloro-N-(3-imidazol-1-ylpropyl)benzamide has a molecular weight of 342.62 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-N-(3-imidazol-1-ylpropyl)benzamide is sourced from PubChem (CID 103826381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).