N-(3-chloro-4-fluorophenyl)-2-hydroxy-4-(3-piperidin-1-ylpropoxy)benzamide

C21H24ClFN2O3 — CID 91937898

IUPACN-(3-chloro-4-fluorophenyl)-2-hydroxy-4-(3-piperidin-1-ylpropoxy)benzamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)c1ccc(OCCCN2CCCCC2)cc1O
InChIInChI=1S/C21H24ClFN2O3/c22-18-13-15(5-8-19(18)23)24-21(27)17-7-6-16(14-20(17)26)28-12-4-11-25-9-2-1-3-10-25/h5-8,13-14,26H,1-4,9-12H2,(H,24,27)
InChIKeySENYAGZCRUTMSW-UHFFFAOYSA-N
MW406.89 g/mol
LogP4.69
Rot. Bonds7

About N-(3-chloro-4-fluorophenyl)-2-hydroxy-4-(3-piperidin-1-ylpropoxy)benzamide

N-(3-chloro-4-fluorophenyl)-2-hydroxy-4-(3-piperidin-1-ylpropoxy)benzamide (PubChem CID 91937898) has the molecular formula C21H24ClFN2O3 and a molecular weight of 406.89 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-hydroxy-4-(3-piperidin-1-ylpropoxy)benzamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-hydroxy-4-(3-piperidin-1-ylpropoxy)benzamide
PubChem CID91937898
Molecular FormulaC21H24ClFN2O3
Molecular Weight406.89 g/mol
Exact Mass406.15
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-hydroxy-4-(3-piperidin-1-ylpropoxy)benzamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)c1ccc(OCCCN2CCCCC2)cc1O
InChIInChI=1S/C21H24ClFN2O3/c22-18-13-15(5-8-19(18)23)24-21(27)17-7-6-16(14-20(17)26)28-12-4-11-25-9-2-1-3-10-25/h5-8,13-14,26H,1-4,9-12H2,(H,24,27)
InChIKeySENYAGZCRUTMSW-UHFFFAOYSA-N
XLogP4.69
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.89
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(3-chloro-4-fluorophenyl)-2-hydroxy-4-(3-piperidin-1-ylpropoxy)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-hydroxy-4-(3-piperidin-1-ylpropoxy)benzamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-hydroxy-4-(3-piperidin-1-ylpropoxy)benzamide (CID 91937898) is N-(3-chloro-4-fluorophenyl)-2-hydroxy-4-(3-piperidin-1-ylpropoxy)benzamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-hydroxy-4-(3-piperidin-1-ylpropoxy)benzamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-hydroxy-4-(3-piperidin-1-ylpropoxy)benzamide is O=C(Nc1ccc(F)c(Cl)c1)c1ccc(OCCCN2CCCCC2)cc1O.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-hydroxy-4-(3-piperidin-1-ylpropoxy)benzamide?
The InChIKey is SENYAGZCRUTMSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClFN2O3/c22-18-13-15(5-8-19(18)23)24-21(27)17-7-6-16(14-20(17)26)28-12-4-11-25-9-2-1-3-10-25/h5-8,13-14,26H,1-4,9-12H2,(H,24,27).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-hydroxy-4-(3-piperidin-1-ylpropoxy)benzamide?
N-(3-chloro-4-fluorophenyl)-2-hydroxy-4-(3-piperidin-1-ylpropoxy)benzamide has a molecular weight of 406.89 g/mol, XLogP of 4.69, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2-hydroxy-4-(3-piperidin-1-ylpropoxy)benzamide is sourced from PubChem (CID 91937898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).