2,2,2-trichloro-N-(3-imidazol-1-ylpropyl)acetamide

C8H10Cl3N3O — CID 2889672

IUPAC2,2,2-trichloro-N-(3-imidazol-1-ylpropyl)acetamide
SMILESO=C(NCCCn1ccnc1)C(Cl)(Cl)Cl
InChIInChI=1S/C8H10Cl3N3O/c9-8(10,11)7(15)13-2-1-4-14-5-3-12-6-14/h3,5-6H,1-2,4H2,(H,13,15)
InChIKeySEWPNHKKNZQZPG-UHFFFAOYSA-N
MW270.55 g/mol
LogP1.76
Rot. Bonds4

About 2,2,2-trichloro-N-(3-imidazol-1-ylpropyl)acetamide

2,2,2-trichloro-N-(3-imidazol-1-ylpropyl)acetamide (PubChem CID 2889672) has the molecular formula C8H10Cl3N3O and a molecular weight of 270.55 g/mol. Its IUPAC name is 2,2,2-trichloro-N-(3-imidazol-1-ylpropyl)acetamide.

Molecular Properties

Compound Name2,2,2-trichloro-N-(3-imidazol-1-ylpropyl)acetamide
PubChem CID2889672
Molecular FormulaC8H10Cl3N3O
Molecular Weight270.55 g/mol
Exact Mass268.99
IUPAC Name2,2,2-trichloro-N-(3-imidazol-1-ylpropyl)acetamide
SMILESO=C(NCCCn1ccnc1)C(Cl)(Cl)Cl
InChIInChI=1S/C8H10Cl3N3O/c9-8(10,11)7(15)13-2-1-4-14-5-3-12-6-14/h3,5-6H,1-2,4H2,(H,13,15)
InChIKeySEWPNHKKNZQZPG-UHFFFAOYSA-N
XLogP1.76
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.55
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trichloro-N-(3-imidazol-1-ylpropyl)acetamide?
The IUPAC name of 2,2,2-trichloro-N-(3-imidazol-1-ylpropyl)acetamide (CID 2889672) is 2,2,2-trichloro-N-(3-imidazol-1-ylpropyl)acetamide.
What is the SMILES notation for 2,2,2-trichloro-N-(3-imidazol-1-ylpropyl)acetamide?
The canonical SMILES for 2,2,2-trichloro-N-(3-imidazol-1-ylpropyl)acetamide is O=C(NCCCn1ccnc1)C(Cl)(Cl)Cl.
What is the InChIKey of 2,2,2-trichloro-N-(3-imidazol-1-ylpropyl)acetamide?
The InChIKey is SEWPNHKKNZQZPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10Cl3N3O/c9-8(10,11)7(15)13-2-1-4-14-5-3-12-6-14/h3,5-6H,1-2,4H2,(H,13,15).
What are the key properties of 2,2,2-trichloro-N-(3-imidazol-1-ylpropyl)acetamide?
2,2,2-trichloro-N-(3-imidazol-1-ylpropyl)acetamide has a molecular weight of 270.55 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trichloro-N-(3-imidazol-1-ylpropyl)acetamide is sourced from PubChem (CID 2889672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).