2-(4-chlorophenoxy)-N-(3-imidazol-1-ylpropyl)propanamide

C15H18ClN3O2 — CID 6618778

IUPAC2-(4-chlorophenoxy)-N-(3-imidazol-1-ylpropyl)propanamide
SMILESCC(Oc1ccc(Cl)cc1)C(=O)NCCCn1ccnc1
InChIInChI=1S/C15H18ClN3O2/c1-12(21-14-5-3-13(16)4-6-14)15(20)18-7-2-9-19-10-8-17-11-19/h3-6,8,10-12H,2,7,9H2,1H3,(H,18,20)
InChIKeyFICBEPYGHBVSDM-UHFFFAOYSA-N
MW307.78 g/mol
LogP2.51
Rot. Bonds7

About 2-(4-chlorophenoxy)-N-(3-imidazol-1-ylpropyl)propanamide

2-(4-chlorophenoxy)-N-(3-imidazol-1-ylpropyl)propanamide (PubChem CID 6618778) has the molecular formula C15H18ClN3O2 and a molecular weight of 307.78 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-(3-imidazol-1-ylpropyl)propanamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-(3-imidazol-1-ylpropyl)propanamide
PubChem CID6618778
Molecular FormulaC15H18ClN3O2
Molecular Weight307.78 g/mol
Exact Mass307.11
IUPAC Name2-(4-chlorophenoxy)-N-(3-imidazol-1-ylpropyl)propanamide
SMILESCC(Oc1ccc(Cl)cc1)C(=O)NCCCn1ccnc1
InChIInChI=1S/C15H18ClN3O2/c1-12(21-14-5-3-13(16)4-6-14)15(20)18-7-2-9-19-10-8-17-11-19/h3-6,8,10-12H,2,7,9H2,1H3,(H,18,20)
InChIKeyFICBEPYGHBVSDM-UHFFFAOYSA-N
XLogP2.51
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-chlorophenoxy)-N-(3-imidazol-1-ylpropyl)propanamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-(3-imidazol-1-ylpropyl)propanamide (CID 6618778) is 2-(4-chlorophenoxy)-N-(3-imidazol-1-ylpropyl)propanamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-(3-imidazol-1-ylpropyl)propanamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-(3-imidazol-1-ylpropyl)propanamide is CC(Oc1ccc(Cl)cc1)C(=O)NCCCn1ccnc1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-(3-imidazol-1-ylpropyl)propanamide?
The InChIKey is FICBEPYGHBVSDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2/c1-12(21-14-5-3-13(16)4-6-14)15(20)18-7-2-9-19-10-8-17-11-19/h3-6,8,10-12H,2,7,9H2,1H3,(H,18,20).
What are the key properties of 2-(4-chlorophenoxy)-N-(3-imidazol-1-ylpropyl)propanamide?
2-(4-chlorophenoxy)-N-(3-imidazol-1-ylpropyl)propanamide has a molecular weight of 307.78 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-(3-imidazol-1-ylpropyl)propanamide is sourced from PubChem (CID 6618778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).