2-fluoro-N-(3-imidazol-1-ylpropyl)benzamide;hydrochloride

C13H15ClFN3O — CID 17065330

IUPAC2-fluoro-N-(3-imidazol-1-ylpropyl)benzamide;hydrochloride
SMILESCl.O=C(NCCCn1ccnc1)c1ccccc1F
InChIInChI=1S/C13H14FN3O.ClH/c14-12-5-2-1-4-11(12)13(18)16-6-3-8-17-9-7-15-10-17;/h1-2,4-5,7,9-10H,3,6,8H2,(H,16,18);1H
InChIKeyHJQZFKRKBQTLAT-UHFFFAOYSA-N
MW283.73 g/mol
LogP2.26
Rot. Bonds5

About 2-fluoro-N-(3-imidazol-1-ylpropyl)benzamide;hydrochloride

2-fluoro-N-(3-imidazol-1-ylpropyl)benzamide;hydrochloride (PubChem CID 17065330) has the molecular formula C13H15ClFN3O and a molecular weight of 283.73 g/mol. Its IUPAC name is 2-fluoro-N-(3-imidazol-1-ylpropyl)benzamide;hydrochloride.

Molecular Properties

Compound Name2-fluoro-N-(3-imidazol-1-ylpropyl)benzamide;hydrochloride
PubChem CID17065330
Molecular FormulaC13H15ClFN3O
Molecular Weight283.73 g/mol
Exact Mass283.09
IUPAC Name2-fluoro-N-(3-imidazol-1-ylpropyl)benzamide;hydrochloride
SMILESCl.O=C(NCCCn1ccnc1)c1ccccc1F
InChIInChI=1S/C13H14FN3O.ClH/c14-12-5-2-1-4-11(12)13(18)16-6-3-8-17-9-7-15-10-17;/h1-2,4-5,7,9-10H,3,6,8H2,(H,16,18);1H
InChIKeyHJQZFKRKBQTLAT-UHFFFAOYSA-N
XLogP2.26
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.73
LogP ≤ 52.26
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-fluoro-N-(3-imidazol-1-ylpropyl)benzamide;hydrochloride?
The IUPAC name of 2-fluoro-N-(3-imidazol-1-ylpropyl)benzamide;hydrochloride (CID 17065330) is 2-fluoro-N-(3-imidazol-1-ylpropyl)benzamide;hydrochloride.
What is the SMILES notation for 2-fluoro-N-(3-imidazol-1-ylpropyl)benzamide;hydrochloride?
The canonical SMILES for 2-fluoro-N-(3-imidazol-1-ylpropyl)benzamide;hydrochloride is Cl.O=C(NCCCn1ccnc1)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-(3-imidazol-1-ylpropyl)benzamide;hydrochloride?
The InChIKey is HJQZFKRKBQTLAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O.ClH/c14-12-5-2-1-4-11(12)13(18)16-6-3-8-17-9-7-15-10-17;/h1-2,4-5,7,9-10H,3,6,8H2,(H,16,18);1H.
What are the key properties of 2-fluoro-N-(3-imidazol-1-ylpropyl)benzamide;hydrochloride?
2-fluoro-N-(3-imidazol-1-ylpropyl)benzamide;hydrochloride has a molecular weight of 283.73 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(3-imidazol-1-ylpropyl)benzamide;hydrochloride is sourced from PubChem (CID 17065330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).