cyclohexyl-[5-[(4-fluorobenzoyl)amino]-2-pyridinyl]azanium chloride

C18H21ClFN3O — CID 110176479

IUPACcyclohexyl-[5-[(4-fluorobenzoyl)amino]-2-pyridinyl]azanium chloride
SMILESO=C(Nc1ccc([NH2+]C2CCCCC2)nc1)c1ccc(F)cc1.[Cl-]
InChIInChI=1S/C18H20FN3O.ClH/c19-14-8-6-13(7-9-14)18(23)22-16-10-11-17(20-12-16)21-15-4-2-1-3-5-15;/h6-12,15H,1-5H2,(H,20,21)(H,22,23);1H
InChIKeyLECXJKPPPIRDGT-UHFFFAOYSA-N
MW349.84 g/mol
LogP0.00
Rot. Bonds4

About cyclohexyl-[5-[(4-fluorobenzoyl)amino]-2-pyridinyl]azanium chloride

cyclohexyl-[5-[(4-fluorobenzoyl)amino]-2-pyridinyl]azanium chloride (PubChem CID 110176479) has the molecular formula C18H21ClFN3O and a molecular weight of 349.84 g/mol. Its IUPAC name is cyclohexyl-[5-[(4-fluorobenzoyl)amino]-2-pyridinyl]azanium chloride.

Molecular Properties

Compound Namecyclohexyl-[5-[(4-fluorobenzoyl)amino]-2-pyridinyl]azanium chloride
PubChem CID110176479
Molecular FormulaC18H21ClFN3O
Molecular Weight349.84 g/mol
Exact Mass349.14
IUPAC Namecyclohexyl-[5-[(4-fluorobenzoyl)amino]-2-pyridinyl]azanium chloride
SMILESO=C(Nc1ccc([NH2+]C2CCCCC2)nc1)c1ccc(F)cc1.[Cl-]
InChIInChI=1S/C18H20FN3O.ClH/c19-14-8-6-13(7-9-14)18(23)22-16-10-11-17(20-12-16)21-15-4-2-1-3-5-15;/h6-12,15H,1-5H2,(H,20,21)(H,22,23);1H
InChIKeyLECXJKPPPIRDGT-UHFFFAOYSA-N
XLogP0.00
TPSA58.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.84
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[5-[(4-fluorobenzoyl)amino]-2-pyridinyl]azanium chloride?
The IUPAC name of cyclohexyl-[5-[(4-fluorobenzoyl)amino]-2-pyridinyl]azanium chloride (CID 110176479) is cyclohexyl-[5-[(4-fluorobenzoyl)amino]-2-pyridinyl]azanium chloride.
What is the SMILES notation for cyclohexyl-[5-[(4-fluorobenzoyl)amino]-2-pyridinyl]azanium chloride?
The canonical SMILES for cyclohexyl-[5-[(4-fluorobenzoyl)amino]-2-pyridinyl]azanium chloride is O=C(Nc1ccc([NH2+]C2CCCCC2)nc1)c1ccc(F)cc1.[Cl-].
What is the InChIKey of cyclohexyl-[5-[(4-fluorobenzoyl)amino]-2-pyridinyl]azanium chloride?
The InChIKey is LECXJKPPPIRDGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O.ClH/c19-14-8-6-13(7-9-14)18(23)22-16-10-11-17(20-12-16)21-15-4-2-1-3-5-15;/h6-12,15H,1-5H2,(H,20,21)(H,22,23);1H.
What are the key properties of cyclohexyl-[5-[(4-fluorobenzoyl)amino]-2-pyridinyl]azanium chloride?
cyclohexyl-[5-[(4-fluorobenzoyl)amino]-2-pyridinyl]azanium chloride has a molecular weight of 349.84 g/mol, XLogP of 0.00, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[5-[(4-fluorobenzoyl)amino]-2-pyridinyl]azanium chloride is sourced from PubChem (CID 110176479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).