N-(4-chloro-2-fluorophenyl)-2-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]-2-oxoacetamide

C22H18ClF2N3O2 — CID 138687825

IUPACN-(4-chloro-2-fluorophenyl)-2-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]-2-oxoacetamide
SMILESO=C(Nc1ccc(Cl)cc1F)C(=O)N1CCC(c2ccnc3ccc(F)cc23)CC1
InChIInChI=1S/C22H18ClF2N3O2/c23-14-1-3-20(18(25)11-14)27-21(29)22(30)28-9-6-13(7-10-28)16-5-8-26-19-4-2-15(24)12-17(16)19/h1-5,8,11-13H,6-7,9-10H2,(H,27,29)
InChIKeyFBRYWFZUOHTANK-UHFFFAOYSA-N
MW429.85 g/mol
LogP4.51
Rot. Bonds2

About N-(4-chloro-2-fluorophenyl)-2-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]-2-oxoacetamide

N-(4-chloro-2-fluorophenyl)-2-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]-2-oxoacetamide (PubChem CID 138687825) has the molecular formula C22H18ClF2N3O2 and a molecular weight of 429.85 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)-2-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-(4-chloro-2-fluorophenyl)-2-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]-2-oxoacetamide
PubChem CID138687825
Molecular FormulaC22H18ClF2N3O2
Molecular Weight429.85 g/mol
Exact Mass429.11
IUPAC NameN-(4-chloro-2-fluorophenyl)-2-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]-2-oxoacetamide
SMILESO=C(Nc1ccc(Cl)cc1F)C(=O)N1CCC(c2ccnc3ccc(F)cc23)CC1
InChIInChI=1S/C22H18ClF2N3O2/c23-14-1-3-20(18(25)11-14)27-21(29)22(30)28-9-6-13(7-10-28)16-5-8-26-19-4-2-15(24)12-17(16)19/h1-5,8,11-13H,6-7,9-10H2,(H,27,29)
InChIKeyFBRYWFZUOHTANK-UHFFFAOYSA-N
XLogP4.51
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.85
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(4-chloro-2-fluorophenyl)-2-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]-2-oxoacetamide 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-(4-chloro-2-fluorophenyl)-2-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]-2-oxoacetamide?
The IUPAC name of N-(4-chloro-2-fluorophenyl)-2-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]-2-oxoacetamide (CID 138687825) is N-(4-chloro-2-fluorophenyl)-2-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]-2-oxoacetamide.
What is the SMILES notation for N-(4-chloro-2-fluorophenyl)-2-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]-2-oxoacetamide?
The canonical SMILES for N-(4-chloro-2-fluorophenyl)-2-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]-2-oxoacetamide is O=C(Nc1ccc(Cl)cc1F)C(=O)N1CCC(c2ccnc3ccc(F)cc23)CC1.
What is the InChIKey of N-(4-chloro-2-fluorophenyl)-2-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]-2-oxoacetamide?
The InChIKey is FBRYWFZUOHTANK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClF2N3O2/c23-14-1-3-20(18(25)11-14)27-21(29)22(30)28-9-6-13(7-10-28)16-5-8-26-19-4-2-15(24)12-17(16)19/h1-5,8,11-13H,6-7,9-10H2,(H,27,29).
What are the key properties of N-(4-chloro-2-fluorophenyl)-2-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]-2-oxoacetamide?
N-(4-chloro-2-fluorophenyl)-2-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]-2-oxoacetamide has a molecular weight of 429.85 g/mol, XLogP of 4.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-fluorophenyl)-2-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 138687825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).