4-fluoro-N-(3-imidazol-1-ylpropyl)benzamide chloride

C13H14ClFN3O- — CID 53351812

IUPAC4-fluoro-N-(3-imidazol-1-ylpropyl)benzamide chloride
SMILESO=C(NCCCn1ccnc1)c1ccc(F)cc1.[Cl-]
InChIInChI=1S/C13H14FN3O.ClH/c14-12-4-2-11(3-5-12)13(18)16-6-1-8-17-9-7-15-10-17;/h2-5,7,9-10H,1,6,8H2,(H,16,18);1H/p-1
InChIKeyATQZEPFANHYMMF-UHFFFAOYSA-M
MW282.73 g/mol
LogP-1.15
Rot. Bonds5

About 4-fluoro-N-(3-imidazol-1-ylpropyl)benzamide chloride

4-fluoro-N-(3-imidazol-1-ylpropyl)benzamide chloride (PubChem CID 53351812) has the molecular formula C13H14ClFN3O- and a molecular weight of 282.73 g/mol. Its IUPAC name is 4-fluoro-N-(3-imidazol-1-ylpropyl)benzamide chloride.

Molecular Properties

Compound Name4-fluoro-N-(3-imidazol-1-ylpropyl)benzamide chloride
PubChem CID53351812
Molecular FormulaC13H14ClFN3O-
Molecular Weight282.73 g/mol
Exact Mass282.08
IUPAC Name4-fluoro-N-(3-imidazol-1-ylpropyl)benzamide chloride
SMILESO=C(NCCCn1ccnc1)c1ccc(F)cc1.[Cl-]
InChIInChI=1S/C13H14FN3O.ClH/c14-12-4-2-11(3-5-12)13(18)16-6-1-8-17-9-7-15-10-17;/h2-5,7,9-10H,1,6,8H2,(H,16,18);1H/p-1
InChIKeyATQZEPFANHYMMF-UHFFFAOYSA-M
XLogP-1.15
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.73
LogP ≤ 5-1.15
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

N-(3-imidazol-1-ylpropyl)-1-methylpyridin-1-ium-4-carboxamide
CID 39847983
4-fluoro-N-(3-imidazol-1-ylpropyl)-3-methylbenzamide
CID 63212783
N-(3-imidazol-1-ylpropyl)-4-methoxybenzamide;hydrochloride
CID 6603491
2-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)imidazo[1,2-a]pyridine-6-carboxamide
CID 72851675
N'-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)oxamide
CID 2883621
4-amino-3-fluoro-N-(4-imidazol-1-ylbutyl)benzamide
CID 62681162
2,3-difluoro-N-(3-imidazol-1-ylpropyl)benzamide
CID 62649023
N-(3-imidazol-1-ylpropyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 2994069
4-(3-aminoprop-1-ynyl)-N-(3-imidazol-1-ylpropyl)benzamide
CID 60821775
N-(3-imidazol-1-ylpropyl)-4-[methyl(methylsulfonyl)amino]benzamide
CID 6493669
N-(3-imidazol-1-ylpropyl)-3-iodo-4-methylbenzamide
CID 118203012
4-amino-N-(3-imidazol-1-ylpropyl)-3-methylbenzamide
CID 28993545

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(3-imidazol-1-ylpropyl)benzamide chloride?
The IUPAC name of 4-fluoro-N-(3-imidazol-1-ylpropyl)benzamide chloride (CID 53351812) is 4-fluoro-N-(3-imidazol-1-ylpropyl)benzamide chloride.
What is the SMILES notation for 4-fluoro-N-(3-imidazol-1-ylpropyl)benzamide chloride?
The canonical SMILES for 4-fluoro-N-(3-imidazol-1-ylpropyl)benzamide chloride is O=C(NCCCn1ccnc1)c1ccc(F)cc1.[Cl-].
What is the InChIKey of 4-fluoro-N-(3-imidazol-1-ylpropyl)benzamide chloride?
The InChIKey is ATQZEPFANHYMMF-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H14FN3O.ClH/c14-12-4-2-11(3-5-12)13(18)16-6-1-8-17-9-7-15-10-17;/h2-5,7,9-10H,1,6,8H2,(H,16,18);1H/p-1.
What are the key properties of 4-fluoro-N-(3-imidazol-1-ylpropyl)benzamide chloride?
4-fluoro-N-(3-imidazol-1-ylpropyl)benzamide chloride has a molecular weight of 282.73 g/mol, XLogP of -1.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(3-imidazol-1-ylpropyl)benzamide chloride is sourced from PubChem (CID 53351812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).