4-[[4-(2-chloro-4-fluorophenoxy)piperidin-1-yl]methyl]-5-cyclopropyl-2-fluorobenzamide

C22H23ClF2N2O2 — CID 118120613

IUPAC4-[[4-(2-chloro-4-fluorophenoxy)piperidin-1-yl]methyl]-5-cyclopropyl-2-fluorobenzamide
SMILESNC(=O)c1cc(C2CC2)c(CN2CCC(Oc3ccc(F)cc3Cl)CC2)cc1F
InChIInChI=1S/C22H23ClF2N2O2/c23-19-10-15(24)3-4-21(19)29-16-5-7-27(8-6-16)12-14-9-20(25)18(22(26)28)11-17(14)13-1-2-13/h3-4,9-11,13,16H,1-2,5-8,12H2,(H2,26,28)
InChIKeyXVCIHTPBBHEOMT-UHFFFAOYSA-N
MW420.89 g/mol
LogP4.64
Rot. Bonds6

About 4-[[4-(2-chloro-4-fluorophenoxy)piperidin-1-yl]methyl]-5-cyclopropyl-2-fluorobenzamide

4-[[4-(2-chloro-4-fluorophenoxy)piperidin-1-yl]methyl]-5-cyclopropyl-2-fluorobenzamide (PubChem CID 118120613) has the molecular formula C22H23ClF2N2O2 and a molecular weight of 420.89 g/mol. Its IUPAC name is 4-[[4-(2-chloro-4-fluorophenoxy)piperidin-1-yl]methyl]-5-cyclopropyl-2-fluorobenzamide.

Molecular Properties

Compound Name4-[[4-(2-chloro-4-fluorophenoxy)piperidin-1-yl]methyl]-5-cyclopropyl-2-fluorobenzamide
PubChem CID118120613
Molecular FormulaC22H23ClF2N2O2
Molecular Weight420.89 g/mol
Exact Mass420.14
IUPAC Name4-[[4-(2-chloro-4-fluorophenoxy)piperidin-1-yl]methyl]-5-cyclopropyl-2-fluorobenzamide
SMILESNC(=O)c1cc(C2CC2)c(CN2CCC(Oc3ccc(F)cc3Cl)CC2)cc1F
InChIInChI=1S/C22H23ClF2N2O2/c23-19-10-15(24)3-4-21(19)29-16-5-7-27(8-6-16)12-14-9-20(25)18(22(26)28)11-17(14)13-1-2-13/h3-4,9-11,13,16H,1-2,5-8,12H2,(H2,26,28)
InChIKeyXVCIHTPBBHEOMT-UHFFFAOYSA-N
XLogP4.64
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.89
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[[4-(2-chloro-4-fluorophenoxy)piperidin-1-yl]methyl]-5-cyclopropyl-2-fluorobenzamide 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 4-[[4-(2-chloro-4-fluorophenoxy)piperidin-1-yl]methyl]-5-cyclopropyl-2-fluorobenzamide?
The IUPAC name of 4-[[4-(2-chloro-4-fluorophenoxy)piperidin-1-yl]methyl]-5-cyclopropyl-2-fluorobenzamide (CID 118120613) is 4-[[4-(2-chloro-4-fluorophenoxy)piperidin-1-yl]methyl]-5-cyclopropyl-2-fluorobenzamide.
What is the SMILES notation for 4-[[4-(2-chloro-4-fluorophenoxy)piperidin-1-yl]methyl]-5-cyclopropyl-2-fluorobenzamide?
The canonical SMILES for 4-[[4-(2-chloro-4-fluorophenoxy)piperidin-1-yl]methyl]-5-cyclopropyl-2-fluorobenzamide is NC(=O)c1cc(C2CC2)c(CN2CCC(Oc3ccc(F)cc3Cl)CC2)cc1F.
What is the InChIKey of 4-[[4-(2-chloro-4-fluorophenoxy)piperidin-1-yl]methyl]-5-cyclopropyl-2-fluorobenzamide?
The InChIKey is XVCIHTPBBHEOMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClF2N2O2/c23-19-10-15(24)3-4-21(19)29-16-5-7-27(8-6-16)12-14-9-20(25)18(22(26)28)11-17(14)13-1-2-13/h3-4,9-11,13,16H,1-2,5-8,12H2,(H2,26,28).
What are the key properties of 4-[[4-(2-chloro-4-fluorophenoxy)piperidin-1-yl]methyl]-5-cyclopropyl-2-fluorobenzamide?
4-[[4-(2-chloro-4-fluorophenoxy)piperidin-1-yl]methyl]-5-cyclopropyl-2-fluorobenzamide has a molecular weight of 420.89 g/mol, XLogP of 4.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2-chloro-4-fluorophenoxy)piperidin-1-yl]methyl]-5-cyclopropyl-2-fluorobenzamide is sourced from PubChem (CID 118120613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).