N-[3-chloro-4-[5-(3-piperidin-1-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]-2-fluorobenzamide

C23H25ClFN5O2 — CID 24782307

IUPACN-[3-chloro-4-[5-(3-piperidin-1-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]-2-fluorobenzamide
SMILESO=C(Nc1ccc(-c2nnc(NCCCN3CCCCC3)o2)c(Cl)c1)c1ccccc1F
InChIInChI=1S/C23H25ClFN5O2/c24-19-15-16(27-21(31)18-7-2-3-8-20(18)25)9-10-17(19)22-28-29-23(32-22)26-11-6-14-30-12-4-1-5-13-30/h2-3,7-10,15H,1,4-6,11-14H2,(H,26,29)(H,27,31)
InChIKeyMFQYPOZQHNZYGW-UHFFFAOYSA-N
MW457.94 g/mol
LogP5.07
Rot. Bonds8

About N-[3-chloro-4-[5-(3-piperidin-1-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]-2-fluorobenzamide

N-[3-chloro-4-[5-(3-piperidin-1-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]-2-fluorobenzamide (PubChem CID 24782307) has the molecular formula C23H25ClFN5O2 and a molecular weight of 457.94 g/mol. Its IUPAC name is N-[3-chloro-4-[5-(3-piperidin-1-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[3-chloro-4-[5-(3-piperidin-1-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]-2-fluorobenzamide
PubChem CID24782307
Molecular FormulaC23H25ClFN5O2
Molecular Weight457.94 g/mol
Exact Mass457.17
IUPAC NameN-[3-chloro-4-[5-(3-piperidin-1-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]-2-fluorobenzamide
SMILESO=C(Nc1ccc(-c2nnc(NCCCN3CCCCC3)o2)c(Cl)c1)c1ccccc1F
InChIInChI=1S/C23H25ClFN5O2/c24-19-15-16(27-21(31)18-7-2-3-8-20(18)25)9-10-17(19)22-28-29-23(32-22)26-11-6-14-30-12-4-1-5-13-30/h2-3,7-10,15H,1,4-6,11-14H2,(H,26,29)(H,27,31)
InChIKeyMFQYPOZQHNZYGW-UHFFFAOYSA-N
XLogP5.07
TPSA83.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.94
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 N-[3-chloro-4-[5-(3-piperidin-1-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]-2-fluorobenzamide?
The IUPAC name of N-[3-chloro-4-[5-(3-piperidin-1-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]-2-fluorobenzamide (CID 24782307) is N-[3-chloro-4-[5-(3-piperidin-1-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]-2-fluorobenzamide.
What is the SMILES notation for N-[3-chloro-4-[5-(3-piperidin-1-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]-2-fluorobenzamide?
The canonical SMILES for N-[3-chloro-4-[5-(3-piperidin-1-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]-2-fluorobenzamide is O=C(Nc1ccc(-c2nnc(NCCCN3CCCCC3)o2)c(Cl)c1)c1ccccc1F.
What is the InChIKey of N-[3-chloro-4-[5-(3-piperidin-1-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]-2-fluorobenzamide?
The InChIKey is MFQYPOZQHNZYGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClFN5O2/c24-19-15-16(27-21(31)18-7-2-3-8-20(18)25)9-10-17(19)22-28-29-23(32-22)26-11-6-14-30-12-4-1-5-13-30/h2-3,7-10,15H,1,4-6,11-14H2,(H,26,29)(H,27,31).
What are the key properties of N-[3-chloro-4-[5-(3-piperidin-1-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]-2-fluorobenzamide?
N-[3-chloro-4-[5-(3-piperidin-1-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]-2-fluorobenzamide has a molecular weight of 457.94 g/mol, XLogP of 5.07, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-[5-(3-piperidin-1-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]-2-fluorobenzamide is sourced from PubChem (CID 24782307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).