N-(3-chloro-4-piperidin-1-ylphenyl)-4-fluorobenzamide

C18H18ClFN2O — CID 1121279

IUPACN-(3-chloro-4-piperidin-1-ylphenyl)-4-fluorobenzamide
SMILESO=C(Nc1ccc(N2CCCCC2)c(Cl)c1)c1ccc(F)cc1
InChIInChI=1S/C18H18ClFN2O/c19-16-12-15(8-9-17(16)22-10-2-1-3-11-22)21-18(23)13-4-6-14(20)7-5-13/h4-9,12H,1-3,10-11H2,(H,21,23)
InChIKeyMGNOVYMOTCJSOQ-UHFFFAOYSA-N
MW332.81 g/mol
LogP4.72
Rot. Bonds3

About N-(3-chloro-4-piperidin-1-ylphenyl)-4-fluorobenzamide

N-(3-chloro-4-piperidin-1-ylphenyl)-4-fluorobenzamide (PubChem CID 1121279) has the molecular formula C18H18ClFN2O and a molecular weight of 332.81 g/mol. Its IUPAC name is N-(3-chloro-4-piperidin-1-ylphenyl)-4-fluorobenzamide.

Molecular Properties

Compound NameN-(3-chloro-4-piperidin-1-ylphenyl)-4-fluorobenzamide
PubChem CID1121279
Molecular FormulaC18H18ClFN2O
Molecular Weight332.81 g/mol
Exact Mass332.11
IUPAC NameN-(3-chloro-4-piperidin-1-ylphenyl)-4-fluorobenzamide
SMILESO=C(Nc1ccc(N2CCCCC2)c(Cl)c1)c1ccc(F)cc1
InChIInChI=1S/C18H18ClFN2O/c19-16-12-15(8-9-17(16)22-10-2-1-3-11-22)21-18(23)13-4-6-14(20)7-5-13/h4-9,12H,1-3,10-11H2,(H,21,23)
InChIKeyMGNOVYMOTCJSOQ-UHFFFAOYSA-N
XLogP4.72
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.81
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-piperidin-1-ylphenyl)-4-fluorobenzamide?
The IUPAC name of N-(3-chloro-4-piperidin-1-ylphenyl)-4-fluorobenzamide (CID 1121279) is N-(3-chloro-4-piperidin-1-ylphenyl)-4-fluorobenzamide.
What is the SMILES notation for N-(3-chloro-4-piperidin-1-ylphenyl)-4-fluorobenzamide?
The canonical SMILES for N-(3-chloro-4-piperidin-1-ylphenyl)-4-fluorobenzamide is O=C(Nc1ccc(N2CCCCC2)c(Cl)c1)c1ccc(F)cc1.
What is the InChIKey of N-(3-chloro-4-piperidin-1-ylphenyl)-4-fluorobenzamide?
The InChIKey is MGNOVYMOTCJSOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClFN2O/c19-16-12-15(8-9-17(16)22-10-2-1-3-11-22)21-18(23)13-4-6-14(20)7-5-13/h4-9,12H,1-3,10-11H2,(H,21,23).
What are the key properties of N-(3-chloro-4-piperidin-1-ylphenyl)-4-fluorobenzamide?
N-(3-chloro-4-piperidin-1-ylphenyl)-4-fluorobenzamide has a molecular weight of 332.81 g/mol, XLogP of 4.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-piperidin-1-ylphenyl)-4-fluorobenzamide is sourced from PubChem (CID 1121279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).