N-[1-[(4-chloro-2-fluorophenyl)-pyridin-3-ylmethyl]piperidin-4-yl]benzamide

C24H23ClFN3O — CID 56665584

IUPACN-[1-[(4-chloro-2-fluorophenyl)-pyridin-3-ylmethyl]piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(C(c2cccnc2)c2ccc(Cl)cc2F)CC1)c1ccccc1
InChIInChI=1S/C24H23ClFN3O/c25-19-8-9-21(22(26)15-19)23(18-7-4-12-27-16-18)29-13-10-20(11-14-29)28-24(30)17-5-2-1-3-6-17/h1-9,12,15-16,20,23H,10-11,13-14H2,(H,28,30)
InChIKeyNPBCJEAMEBAOGW-UHFFFAOYSA-N
MW423.92 g/mol
LogP4.86
Rot. Bonds5

About N-[1-[(4-chloro-2-fluorophenyl)-pyridin-3-ylmethyl]piperidin-4-yl]benzamide

N-[1-[(4-chloro-2-fluorophenyl)-pyridin-3-ylmethyl]piperidin-4-yl]benzamide (PubChem CID 56665584) has the molecular formula C24H23ClFN3O and a molecular weight of 423.92 g/mol. Its IUPAC name is N-[1-[(4-chloro-2-fluorophenyl)-pyridin-3-ylmethyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound NameN-[1-[(4-chloro-2-fluorophenyl)-pyridin-3-ylmethyl]piperidin-4-yl]benzamide
PubChem CID56665584
Molecular FormulaC24H23ClFN3O
Molecular Weight423.92 g/mol
Exact Mass423.15
IUPAC NameN-[1-[(4-chloro-2-fluorophenyl)-pyridin-3-ylmethyl]piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(C(c2cccnc2)c2ccc(Cl)cc2F)CC1)c1ccccc1
InChIInChI=1S/C24H23ClFN3O/c25-19-8-9-21(22(26)15-19)23(18-7-4-12-27-16-18)29-13-10-20(11-14-29)28-24(30)17-5-2-1-3-6-17/h1-9,12,15-16,20,23H,10-11,13-14H2,(H,28,30)
InChIKeyNPBCJEAMEBAOGW-UHFFFAOYSA-N
XLogP4.86
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.92
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-[(4-chloro-2-fluorophenyl)-pyridin-3-ylmethyl]piperidin-4-yl]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-[1-[(4-chloro-2-fluorophenyl)-pyridin-3-ylmethyl]piperidin-4-yl]benzamide?
The IUPAC name of N-[1-[(4-chloro-2-fluorophenyl)-pyridin-3-ylmethyl]piperidin-4-yl]benzamide (CID 56665584) is N-[1-[(4-chloro-2-fluorophenyl)-pyridin-3-ylmethyl]piperidin-4-yl]benzamide.
What is the SMILES notation for N-[1-[(4-chloro-2-fluorophenyl)-pyridin-3-ylmethyl]piperidin-4-yl]benzamide?
The canonical SMILES for N-[1-[(4-chloro-2-fluorophenyl)-pyridin-3-ylmethyl]piperidin-4-yl]benzamide is O=C(NC1CCN(C(c2cccnc2)c2ccc(Cl)cc2F)CC1)c1ccccc1.
What is the InChIKey of N-[1-[(4-chloro-2-fluorophenyl)-pyridin-3-ylmethyl]piperidin-4-yl]benzamide?
The InChIKey is NPBCJEAMEBAOGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClFN3O/c25-19-8-9-21(22(26)15-19)23(18-7-4-12-27-16-18)29-13-10-20(11-14-29)28-24(30)17-5-2-1-3-6-17/h1-9,12,15-16,20,23H,10-11,13-14H2,(H,28,30).
What are the key properties of N-[1-[(4-chloro-2-fluorophenyl)-pyridin-3-ylmethyl]piperidin-4-yl]benzamide?
N-[1-[(4-chloro-2-fluorophenyl)-pyridin-3-ylmethyl]piperidin-4-yl]benzamide has a molecular weight of 423.92 g/mol, XLogP of 4.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-chloro-2-fluorophenyl)-pyridin-3-ylmethyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 56665584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).