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

C22H23Cl2FN2O2 — CID 118120718

IUPAC5-cyclopropyl-4-[[4-(2,4-dichlorophenoxy)piperidin-1-yl]methyl]-2-fluorobenzamide
SMILESNC(=O)c1cc(C2CC2)c(CN2CCC(Oc3ccc(Cl)cc3Cl)CC2)cc1F
InChIInChI=1S/C22H23Cl2FN2O2/c23-15-3-4-21(19(24)10-15)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)
InChIKeyQWGWIALEIALNJD-UHFFFAOYSA-N
MW437.34 g/mol
LogP5.15
Rot. Bonds6

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

5-cyclopropyl-4-[[4-(2,4-dichlorophenoxy)piperidin-1-yl]methyl]-2-fluorobenzamide (PubChem CID 118120718) has the molecular formula C22H23Cl2FN2O2 and a molecular weight of 437.34 g/mol. Its IUPAC name is 5-cyclopropyl-4-[[4-(2,4-dichlorophenoxy)piperidin-1-yl]methyl]-2-fluorobenzamide.

Molecular Properties

Compound Name5-cyclopropyl-4-[[4-(2,4-dichlorophenoxy)piperidin-1-yl]methyl]-2-fluorobenzamide
PubChem CID118120718
Molecular FormulaC22H23Cl2FN2O2
Molecular Weight437.34 g/mol
Exact Mass436.11
IUPAC Name5-cyclopropyl-4-[[4-(2,4-dichlorophenoxy)piperidin-1-yl]methyl]-2-fluorobenzamide
SMILESNC(=O)c1cc(C2CC2)c(CN2CCC(Oc3ccc(Cl)cc3Cl)CC2)cc1F
InChIInChI=1S/C22H23Cl2FN2O2/c23-15-3-4-21(19(24)10-15)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)
InChIKeyQWGWIALEIALNJD-UHFFFAOYSA-N
XLogP5.15
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.34
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-4-[[4-(2,4-dichlorophenoxy)piperidin-1-yl]methyl]-2-fluorobenzamide?
The IUPAC name of 5-cyclopropyl-4-[[4-(2,4-dichlorophenoxy)piperidin-1-yl]methyl]-2-fluorobenzamide (CID 118120718) is 5-cyclopropyl-4-[[4-(2,4-dichlorophenoxy)piperidin-1-yl]methyl]-2-fluorobenzamide.
What is the SMILES notation for 5-cyclopropyl-4-[[4-(2,4-dichlorophenoxy)piperidin-1-yl]methyl]-2-fluorobenzamide?
The canonical SMILES for 5-cyclopropyl-4-[[4-(2,4-dichlorophenoxy)piperidin-1-yl]methyl]-2-fluorobenzamide is NC(=O)c1cc(C2CC2)c(CN2CCC(Oc3ccc(Cl)cc3Cl)CC2)cc1F.
What is the InChIKey of 5-cyclopropyl-4-[[4-(2,4-dichlorophenoxy)piperidin-1-yl]methyl]-2-fluorobenzamide?
The InChIKey is QWGWIALEIALNJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23Cl2FN2O2/c23-15-3-4-21(19(24)10-15)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 5-cyclopropyl-4-[[4-(2,4-dichlorophenoxy)piperidin-1-yl]methyl]-2-fluorobenzamide?
5-cyclopropyl-4-[[4-(2,4-dichlorophenoxy)piperidin-1-yl]methyl]-2-fluorobenzamide has a molecular weight of 437.34 g/mol, XLogP of 5.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-4-[[4-(2,4-dichlorophenoxy)piperidin-1-yl]methyl]-2-fluorobenzamide is sourced from PubChem (CID 118120718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).