2-(4-bromophenyl)-N-(3-imidazol-1-ylpropyl)acetamide

C14H16BrN3O — CID 3768856

IUPAC2-(4-bromophenyl)-N-(3-imidazol-1-ylpropyl)acetamide
SMILESO=C(Cc1ccc(Br)cc1)NCCCn1ccnc1
InChIInChI=1S/C14H16BrN3O/c15-13-4-2-12(3-5-13)10-14(19)17-6-1-8-18-9-7-16-11-18/h2-5,7,9,11H,1,6,8,10H2,(H,17,19)
InChIKeyGOSJCVYHMDOHRT-UHFFFAOYSA-N
MW322.21 g/mol
LogP2.39
Rot. Bonds6

About 2-(4-bromophenyl)-N-(3-imidazol-1-ylpropyl)acetamide

2-(4-bromophenyl)-N-(3-imidazol-1-ylpropyl)acetamide (PubChem CID 3768856) has the molecular formula C14H16BrN3O and a molecular weight of 322.21 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-(3-imidazol-1-ylpropyl)acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-(3-imidazol-1-ylpropyl)acetamide
PubChem CID3768856
Molecular FormulaC14H16BrN3O
Molecular Weight322.21 g/mol
Exact Mass321.05
IUPAC Name2-(4-bromophenyl)-N-(3-imidazol-1-ylpropyl)acetamide
SMILESO=C(Cc1ccc(Br)cc1)NCCCn1ccnc1
InChIInChI=1S/C14H16BrN3O/c15-13-4-2-12(3-5-13)10-14(19)17-6-1-8-18-9-7-16-11-18/h2-5,7,9,11H,1,6,8,10H2,(H,17,19)
InChIKeyGOSJCVYHMDOHRT-UHFFFAOYSA-N
XLogP2.39
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.21
LogP ≤ 52.39
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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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-(3-imidazol-1-ylpropyl)acetamide?
The IUPAC name of 2-(4-bromophenyl)-N-(3-imidazol-1-ylpropyl)acetamide (CID 3768856) is 2-(4-bromophenyl)-N-(3-imidazol-1-ylpropyl)acetamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-(3-imidazol-1-ylpropyl)acetamide?
The canonical SMILES for 2-(4-bromophenyl)-N-(3-imidazol-1-ylpropyl)acetamide is O=C(Cc1ccc(Br)cc1)NCCCn1ccnc1.
What is the InChIKey of 2-(4-bromophenyl)-N-(3-imidazol-1-ylpropyl)acetamide?
The InChIKey is GOSJCVYHMDOHRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O/c15-13-4-2-12(3-5-13)10-14(19)17-6-1-8-18-9-7-16-11-18/h2-5,7,9,11H,1,6,8,10H2,(H,17,19).
What are the key properties of 2-(4-bromophenyl)-N-(3-imidazol-1-ylpropyl)acetamide?
2-(4-bromophenyl)-N-(3-imidazol-1-ylpropyl)acetamide has a molecular weight of 322.21 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-(3-imidazol-1-ylpropyl)acetamide is sourced from PubChem (CID 3768856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).