2-(2-chloro-6-fluorophenyl)-N-(3-imidazol-1-ylpropyl)acetamide

C14H15ClFN3O — CID 2963113

IUPAC2-(2-chloro-6-fluorophenyl)-N-(3-imidazol-1-ylpropyl)acetamide
SMILESO=C(Cc1c(F)cccc1Cl)NCCCn1ccnc1
InChIInChI=1S/C14H15ClFN3O/c15-12-3-1-4-13(16)11(12)9-14(20)18-5-2-7-19-8-6-17-10-19/h1,3-4,6,8,10H,2,5,7,9H2,(H,18,20)
InChIKeyOYMGXMXWQSSOEX-UHFFFAOYSA-N
MW295.75 g/mol
LogP2.42
Rot. Bonds6

About 2-(2-chloro-6-fluorophenyl)-N-(3-imidazol-1-ylpropyl)acetamide

2-(2-chloro-6-fluorophenyl)-N-(3-imidazol-1-ylpropyl)acetamide (PubChem CID 2963113) has the molecular formula C14H15ClFN3O and a molecular weight of 295.75 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-N-(3-imidazol-1-ylpropyl)acetamide.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-N-(3-imidazol-1-ylpropyl)acetamide
PubChem CID2963113
Molecular FormulaC14H15ClFN3O
Molecular Weight295.75 g/mol
Exact Mass295.09
IUPAC Name2-(2-chloro-6-fluorophenyl)-N-(3-imidazol-1-ylpropyl)acetamide
SMILESO=C(Cc1c(F)cccc1Cl)NCCCn1ccnc1
InChIInChI=1S/C14H15ClFN3O/c15-12-3-1-4-13(16)11(12)9-14(20)18-5-2-7-19-8-6-17-10-19/h1,3-4,6,8,10H,2,5,7,9H2,(H,18,20)
InChIKeyOYMGXMXWQSSOEX-UHFFFAOYSA-N
XLogP2.42
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.75
LogP ≤ 52.42
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

2-chloro-6-fluoro-N-(5-imidazol-1-ylpentyl)benzamide
CID 110445786
2,3-difluoro-N-(3-imidazol-1-ylpropyl)benzamide
CID 62649023
2-(3,4-dichlorophenyl)-N-(3-imidazol-1-ylpropyl)acetamide
CID 47099773
2-amino-3-chloro-N-(3-imidazol-1-ylpropyl)benzamide
CID 82546842
2,3-dichloro-N-(4-imidazol-1-ylbutyl)benzamide
CID 47068478
6-fluoro-N-(3-imidazol-1-ylpropyl)pyridine-2-carboxamide
CID 113323370
2-(2-chloro-6-fluorophenyl)-N-(5-iodopentyl)acetamide
CID 107322545
4-fluoro-N-(3-imidazol-1-ylpropyl)benzamide chloride
CID 53351812
N-(3-imidazol-1-ylpropyl)-2-(4-phenylphenyl)acetamide
CID 35513194
3-chloro-N-(3-imidazol-1-ylpropyl)pyridine-4-carboxamide
CID 66463625
N-(3-imidazol-1-ylpropyl)-2-pyridin-2-ylacetamide
CID 110468194
1-(2,3-dichlorophenyl)-3-(3-imidazol-1-ylpropyl)urea
CID 47032146

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-(3-imidazol-1-ylpropyl)acetamide?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-(3-imidazol-1-ylpropyl)acetamide (CID 2963113) is 2-(2-chloro-6-fluorophenyl)-N-(3-imidazol-1-ylpropyl)acetamide.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-N-(3-imidazol-1-ylpropyl)acetamide?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-N-(3-imidazol-1-ylpropyl)acetamide is O=C(Cc1c(F)cccc1Cl)NCCCn1ccnc1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-N-(3-imidazol-1-ylpropyl)acetamide?
The InChIKey is OYMGXMXWQSSOEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFN3O/c15-12-3-1-4-13(16)11(12)9-14(20)18-5-2-7-19-8-6-17-10-19/h1,3-4,6,8,10H,2,5,7,9H2,(H,18,20).
What are the key properties of 2-(2-chloro-6-fluorophenyl)-N-(3-imidazol-1-ylpropyl)acetamide?
2-(2-chloro-6-fluorophenyl)-N-(3-imidazol-1-ylpropyl)acetamide has a molecular weight of 295.75 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-N-(3-imidazol-1-ylpropyl)acetamide is sourced from PubChem (CID 2963113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).