2-(2-chlorophenyl)-N-(3-imidazol-1-ylpropyl)acetamide

C14H16ClN3O — CID 2970578

IUPAC2-(2-chlorophenyl)-N-(3-imidazol-1-ylpropyl)acetamide
SMILESO=C(Cc1ccccc1Cl)NCCCn1ccnc1
InChIInChI=1S/C14H16ClN3O/c15-13-5-2-1-4-12(13)10-14(19)17-6-3-8-18-9-7-16-11-18/h1-2,4-5,7,9,11H,3,6,8,10H2,(H,17,19)
InChIKeyKWVONUHAFVWJLB-UHFFFAOYSA-N
MW277.75 g/mol
LogP2.29
Rot. Bonds6

About 2-(2-chlorophenyl)-N-(3-imidazol-1-ylpropyl)acetamide

2-(2-chlorophenyl)-N-(3-imidazol-1-ylpropyl)acetamide (PubChem CID 2970578) has the molecular formula C14H16ClN3O and a molecular weight of 277.75 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-(3-imidazol-1-ylpropyl)acetamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-(3-imidazol-1-ylpropyl)acetamide
PubChem CID2970578
Molecular FormulaC14H16ClN3O
Molecular Weight277.75 g/mol
Exact Mass277.10
IUPAC Name2-(2-chlorophenyl)-N-(3-imidazol-1-ylpropyl)acetamide
SMILESO=C(Cc1ccccc1Cl)NCCCn1ccnc1
InChIInChI=1S/C14H16ClN3O/c15-13-5-2-1-4-12(13)10-14(19)17-6-3-8-18-9-7-16-11-18/h1-2,4-5,7,9,11H,3,6,8,10H2,(H,17,19)
InChIKeyKWVONUHAFVWJLB-UHFFFAOYSA-N
XLogP2.29
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 52.29
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-(2-chlorophenyl)-N-(3-imidazol-1-ylpropyl)acetamide?
The IUPAC name of 2-(2-chlorophenyl)-N-(3-imidazol-1-ylpropyl)acetamide (CID 2970578) is 2-(2-chlorophenyl)-N-(3-imidazol-1-ylpropyl)acetamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-(3-imidazol-1-ylpropyl)acetamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-(3-imidazol-1-ylpropyl)acetamide is O=C(Cc1ccccc1Cl)NCCCn1ccnc1.
What is the InChIKey of 2-(2-chlorophenyl)-N-(3-imidazol-1-ylpropyl)acetamide?
The InChIKey is KWVONUHAFVWJLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c15-13-5-2-1-4-12(13)10-14(19)17-6-3-8-18-9-7-16-11-18/h1-2,4-5,7,9,11H,3,6,8,10H2,(H,17,19).
What are the key properties of 2-(2-chlorophenyl)-N-(3-imidazol-1-ylpropyl)acetamide?
2-(2-chlorophenyl)-N-(3-imidazol-1-ylpropyl)acetamide has a molecular weight of 277.75 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-(3-imidazol-1-ylpropyl)acetamide is sourced from PubChem (CID 2970578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).