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

C22H24ClFN2O2 — CID 118120766

IUPAC4-[[4-(4-chlorophenoxy)piperidin-1-yl]methyl]-5-cyclopropyl-2-fluorobenzamide
SMILESNC(=O)c1cc(C2CC2)c(CN2CCC(Oc3ccc(Cl)cc3)CC2)cc1F
InChIInChI=1S/C22H24ClFN2O2/c23-16-3-5-17(6-4-16)28-18-7-9-26(10-8-18)13-15-11-21(24)20(22(25)27)12-19(15)14-1-2-14/h3-6,11-12,14,18H,1-2,7-10,13H2,(H2,25,27)
InChIKeyQUPKYELMQGTJPX-UHFFFAOYSA-N
MW402.90 g/mol
LogP4.50
Rot. Bonds6

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

4-[[4-(4-chlorophenoxy)piperidin-1-yl]methyl]-5-cyclopropyl-2-fluorobenzamide (PubChem CID 118120766) has the molecular formula C22H24ClFN2O2 and a molecular weight of 402.90 g/mol. Its IUPAC name is 4-[[4-(4-chlorophenoxy)piperidin-1-yl]methyl]-5-cyclopropyl-2-fluorobenzamide.

Molecular Properties

Compound Name4-[[4-(4-chlorophenoxy)piperidin-1-yl]methyl]-5-cyclopropyl-2-fluorobenzamide
PubChem CID118120766
Molecular FormulaC22H24ClFN2O2
Molecular Weight402.90 g/mol
Exact Mass402.15
IUPAC Name4-[[4-(4-chlorophenoxy)piperidin-1-yl]methyl]-5-cyclopropyl-2-fluorobenzamide
SMILESNC(=O)c1cc(C2CC2)c(CN2CCC(Oc3ccc(Cl)cc3)CC2)cc1F
InChIInChI=1S/C22H24ClFN2O2/c23-16-3-5-17(6-4-16)28-18-7-9-26(10-8-18)13-15-11-21(24)20(22(25)27)12-19(15)14-1-2-14/h3-6,11-12,14,18H,1-2,7-10,13H2,(H2,25,27)
InChIKeyQUPKYELMQGTJPX-UHFFFAOYSA-N
XLogP4.50
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.90
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(4-chlorophenoxy)piperidin-1-yl]methyl]-5-cyclopropyl-2-fluorobenzamide?
The IUPAC name of 4-[[4-(4-chlorophenoxy)piperidin-1-yl]methyl]-5-cyclopropyl-2-fluorobenzamide (CID 118120766) is 4-[[4-(4-chlorophenoxy)piperidin-1-yl]methyl]-5-cyclopropyl-2-fluorobenzamide.
What is the SMILES notation for 4-[[4-(4-chlorophenoxy)piperidin-1-yl]methyl]-5-cyclopropyl-2-fluorobenzamide?
The canonical SMILES for 4-[[4-(4-chlorophenoxy)piperidin-1-yl]methyl]-5-cyclopropyl-2-fluorobenzamide is NC(=O)c1cc(C2CC2)c(CN2CCC(Oc3ccc(Cl)cc3)CC2)cc1F.
What is the InChIKey of 4-[[4-(4-chlorophenoxy)piperidin-1-yl]methyl]-5-cyclopropyl-2-fluorobenzamide?
The InChIKey is QUPKYELMQGTJPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClFN2O2/c23-16-3-5-17(6-4-16)28-18-7-9-26(10-8-18)13-15-11-21(24)20(22(25)27)12-19(15)14-1-2-14/h3-6,11-12,14,18H,1-2,7-10,13H2,(H2,25,27).
What are the key properties of 4-[[4-(4-chlorophenoxy)piperidin-1-yl]methyl]-5-cyclopropyl-2-fluorobenzamide?
4-[[4-(4-chlorophenoxy)piperidin-1-yl]methyl]-5-cyclopropyl-2-fluorobenzamide has a molecular weight of 402.90 g/mol, XLogP of 4.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(4-chlorophenoxy)piperidin-1-yl]methyl]-5-cyclopropyl-2-fluorobenzamide is sourced from PubChem (CID 118120766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).