2-chloro-6-fluoro-N-(3-pyridin-3-ylpropyl)benzamide

C15H14ClFN2O — CID 110400269

IUPAC2-chloro-6-fluoro-N-(3-pyridin-3-ylpropyl)benzamide
SMILESO=C(NCCCc1cccnc1)c1c(F)cccc1Cl
InChIInChI=1S/C15H14ClFN2O/c16-12-6-1-7-13(17)14(12)15(20)19-9-3-5-11-4-2-8-18-10-11/h1-2,4,6-8,10H,3,5,9H2,(H,19,20)
InChIKeyZPBZQBCFWJSWIK-UHFFFAOYSA-N
MW292.74 g/mol
LogP3.24
Rot. Bonds5

About 2-chloro-6-fluoro-N-(3-pyridin-3-ylpropyl)benzamide

2-chloro-6-fluoro-N-(3-pyridin-3-ylpropyl)benzamide (PubChem CID 110400269) has the molecular formula C15H14ClFN2O and a molecular weight of 292.74 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-(3-pyridin-3-ylpropyl)benzamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-(3-pyridin-3-ylpropyl)benzamide
PubChem CID110400269
Molecular FormulaC15H14ClFN2O
Molecular Weight292.74 g/mol
Exact Mass292.08
IUPAC Name2-chloro-6-fluoro-N-(3-pyridin-3-ylpropyl)benzamide
SMILESO=C(NCCCc1cccnc1)c1c(F)cccc1Cl
InChIInChI=1S/C15H14ClFN2O/c16-12-6-1-7-13(17)14(12)15(20)19-9-3-5-11-4-2-8-18-10-11/h1-2,4,6-8,10H,3,5,9H2,(H,19,20)
InChIKeyZPBZQBCFWJSWIK-UHFFFAOYSA-N
XLogP3.24
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.74
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-chloro-6-fluoro-N-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]benzamide
CID 112993068
2-fluoro-6-hydroxy-N-(2-pyridin-3-ylethyl)benzamide
CID 104916776
2-amino-6-chloro-N-(2-pyridin-3-ylethyl)benzamide
CID 55244513
2-chloro-6-(cyclopropylmethoxy)-N-(3-pyridin-3-ylpropyl)benzamide
CID 166280135
2-chloro-6-fluoro-N-[3-(4-methoxyphenyl)propyl]benzamide
CID 110288651
2-chloro-6-fluoro-N-[2-(4-pyridin-3-ylpyrazol-1-yl)ethyl]benzamide
CID 126852817
2-chloro-6-fluoro-N-[2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]benzamide
CID 110317678
N-(4-pyridin-3-ylbutyl)pyridine-3-carboxamide
CID 110661295
N-(5-bromopentyl)-2-chloro-6-fluorobenzamide
CID 107321928
4-(2-chlorophenyl)-4-oxo-N-(3-pyridin-3-ylpropyl)butanamide
CID 110607164
2-chloro-6-fluoro-N-[5-(pyridin-3-ylmethylamino)-2-pyridinyl]benzamide
CID 113027789
2-chloro-6-fluoro-N-(5-imidazol-1-ylpentyl)benzamide
CID 110445786

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N-(3-pyridin-3-ylpropyl)benzamide?
The IUPAC name of 2-chloro-6-fluoro-N-(3-pyridin-3-ylpropyl)benzamide (CID 110400269) is 2-chloro-6-fluoro-N-(3-pyridin-3-ylpropyl)benzamide.
What is the SMILES notation for 2-chloro-6-fluoro-N-(3-pyridin-3-ylpropyl)benzamide?
The canonical SMILES for 2-chloro-6-fluoro-N-(3-pyridin-3-ylpropyl)benzamide is O=C(NCCCc1cccnc1)c1c(F)cccc1Cl.
What is the InChIKey of 2-chloro-6-fluoro-N-(3-pyridin-3-ylpropyl)benzamide?
The InChIKey is ZPBZQBCFWJSWIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2O/c16-12-6-1-7-13(17)14(12)15(20)19-9-3-5-11-4-2-8-18-10-11/h1-2,4,6-8,10H,3,5,9H2,(H,19,20).
What are the key properties of 2-chloro-6-fluoro-N-(3-pyridin-3-ylpropyl)benzamide?
2-chloro-6-fluoro-N-(3-pyridin-3-ylpropyl)benzamide has a molecular weight of 292.74 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-N-(3-pyridin-3-ylpropyl)benzamide is sourced from PubChem (CID 110400269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).