2-chloro-6-fluoro-N-(5-imidazol-1-ylpentyl)benzamide

C15H17ClFN3O — CID 110445786

IUPAC2-chloro-6-fluoro-N-(5-imidazol-1-ylpentyl)benzamide
SMILESO=C(NCCCCCn1ccnc1)c1c(F)cccc1Cl
InChIInChI=1S/C15H17ClFN3O/c16-12-5-4-6-13(17)14(12)15(21)19-7-2-1-3-9-20-10-8-18-11-20/h4-6,8,10-11H,1-3,7,9H2,(H,19,21)
InChIKeyWBRFQOVMRVBJPB-UHFFFAOYSA-N
MW309.77 g/mol
LogP3.28
Rot. Bonds7

About 2-chloro-6-fluoro-N-(5-imidazol-1-ylpentyl)benzamide

2-chloro-6-fluoro-N-(5-imidazol-1-ylpentyl)benzamide (PubChem CID 110445786) has the molecular formula C15H17ClFN3O and a molecular weight of 309.77 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-(5-imidazol-1-ylpentyl)benzamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-(5-imidazol-1-ylpentyl)benzamide
PubChem CID110445786
Molecular FormulaC15H17ClFN3O
Molecular Weight309.77 g/mol
Exact Mass309.10
IUPAC Name2-chloro-6-fluoro-N-(5-imidazol-1-ylpentyl)benzamide
SMILESO=C(NCCCCCn1ccnc1)c1c(F)cccc1Cl
InChIInChI=1S/C15H17ClFN3O/c16-12-5-4-6-13(17)14(12)15(21)19-7-2-1-3-9-20-10-8-18-11-20/h4-6,8,10-11H,1-3,7,9H2,(H,19,21)
InChIKeyWBRFQOVMRVBJPB-UHFFFAOYSA-N
XLogP3.28
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.77
LogP ≤ 53.28
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

2,3-dichloro-N-(4-imidazol-1-ylbutyl)benzamide
CID 47068478
2-(2-chloro-6-fluorophenyl)-N-(3-imidazol-1-ylpropyl)acetamide
CID 2963113
2,3-difluoro-N-(3-imidazol-1-ylpropyl)benzamide
CID 62649023
2-amino-3-chloro-N-(3-imidazol-1-ylpropyl)benzamide
CID 82546842
3,6-dichloro-N-(4-imidazol-1-ylbutyl)-2-methoxybenzamide
CID 110443039
N-(5-bromopentyl)-2-chloro-6-fluorobenzamide
CID 107321928
8-[(2-chloro-6-fluorobenzoyl)amino]octanoic acid
CID 10663193
2-chloro-N-(4-imidazol-1-ylbutyl)furan-3-carboxamide
CID 106686683
3-chloro-N-(3-imidazol-1-ylpropyl)pyridine-4-carboxamide
CID 66463625
2-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]-N-(3-imidazol-1-ylpropyl)-6-methylpyridine-3-carboxamide
CID 3596851
5-(2-chlorophenyl)-N-(4-imidazol-1-ylbutyl)-1H-pyrazole-4-carboxamide
CID 75378536
6-fluoro-N-(3-imidazol-1-ylpropyl)pyridine-2-carboxamide
CID 113323370

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N-(5-imidazol-1-ylpentyl)benzamide?
The IUPAC name of 2-chloro-6-fluoro-N-(5-imidazol-1-ylpentyl)benzamide (CID 110445786) is 2-chloro-6-fluoro-N-(5-imidazol-1-ylpentyl)benzamide.
What is the SMILES notation for 2-chloro-6-fluoro-N-(5-imidazol-1-ylpentyl)benzamide?
The canonical SMILES for 2-chloro-6-fluoro-N-(5-imidazol-1-ylpentyl)benzamide is O=C(NCCCCCn1ccnc1)c1c(F)cccc1Cl.
What is the InChIKey of 2-chloro-6-fluoro-N-(5-imidazol-1-ylpentyl)benzamide?
The InChIKey is WBRFQOVMRVBJPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClFN3O/c16-12-5-4-6-13(17)14(12)15(21)19-7-2-1-3-9-20-10-8-18-11-20/h4-6,8,10-11H,1-3,7,9H2,(H,19,21).
What are the key properties of 2-chloro-6-fluoro-N-(5-imidazol-1-ylpentyl)benzamide?
2-chloro-6-fluoro-N-(5-imidazol-1-ylpentyl)benzamide has a molecular weight of 309.77 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-N-(5-imidazol-1-ylpentyl)benzamide is sourced from PubChem (CID 110445786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).