N-[[1-(5-chloro-2-fluorobenzoyl)piperidin-3-yl]methyl]-4-fluorobenzamide

C20H19ClF2N2O2 — CID 24792073

IUPACN-[[1-(5-chloro-2-fluorobenzoyl)piperidin-3-yl]methyl]-4-fluorobenzamide
SMILESO=C(NCC1CCCN(C(=O)c2cc(Cl)ccc2F)C1)c1ccc(F)cc1
InChIInChI=1S/C20H19ClF2N2O2/c21-15-5-8-18(23)17(10-15)20(27)25-9-1-2-13(12-25)11-24-19(26)14-3-6-16(22)7-4-14/h3-8,10,13H,1-2,9,11-12H2,(H,24,26)
InChIKeyKPQQOAJGXVBUQZ-UHFFFAOYSA-N
MW392.83 g/mol
LogP3.90
Rot. Bonds4

About N-[[1-(5-chloro-2-fluorobenzoyl)piperidin-3-yl]methyl]-4-fluorobenzamide

N-[[1-(5-chloro-2-fluorobenzoyl)piperidin-3-yl]methyl]-4-fluorobenzamide (PubChem CID 24792073) has the molecular formula C20H19ClF2N2O2 and a molecular weight of 392.83 g/mol. Its IUPAC name is N-[[1-(5-chloro-2-fluorobenzoyl)piperidin-3-yl]methyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[[1-(5-chloro-2-fluorobenzoyl)piperidin-3-yl]methyl]-4-fluorobenzamide
PubChem CID24792073
Molecular FormulaC20H19ClF2N2O2
Molecular Weight392.83 g/mol
Exact Mass392.11
IUPAC NameN-[[1-(5-chloro-2-fluorobenzoyl)piperidin-3-yl]methyl]-4-fluorobenzamide
SMILESO=C(NCC1CCCN(C(=O)c2cc(Cl)ccc2F)C1)c1ccc(F)cc1
InChIInChI=1S/C20H19ClF2N2O2/c21-15-5-8-18(23)17(10-15)20(27)25-9-1-2-13(12-25)11-24-19(26)14-3-6-16(22)7-4-14/h3-8,10,13H,1-2,9,11-12H2,(H,24,26)
InChIKeyKPQQOAJGXVBUQZ-UHFFFAOYSA-N
XLogP3.90
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.83
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(5-chloro-2-fluorobenzoyl)piperidin-3-yl]methyl]-4-fluorobenzamide?
The IUPAC name of N-[[1-(5-chloro-2-fluorobenzoyl)piperidin-3-yl]methyl]-4-fluorobenzamide (CID 24792073) is N-[[1-(5-chloro-2-fluorobenzoyl)piperidin-3-yl]methyl]-4-fluorobenzamide.
What is the SMILES notation for N-[[1-(5-chloro-2-fluorobenzoyl)piperidin-3-yl]methyl]-4-fluorobenzamide?
The canonical SMILES for N-[[1-(5-chloro-2-fluorobenzoyl)piperidin-3-yl]methyl]-4-fluorobenzamide is O=C(NCC1CCCN(C(=O)c2cc(Cl)ccc2F)C1)c1ccc(F)cc1.
What is the InChIKey of N-[[1-(5-chloro-2-fluorobenzoyl)piperidin-3-yl]methyl]-4-fluorobenzamide?
The InChIKey is KPQQOAJGXVBUQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClF2N2O2/c21-15-5-8-18(23)17(10-15)20(27)25-9-1-2-13(12-25)11-24-19(26)14-3-6-16(22)7-4-14/h3-8,10,13H,1-2,9,11-12H2,(H,24,26).
What are the key properties of N-[[1-(5-chloro-2-fluorobenzoyl)piperidin-3-yl]methyl]-4-fluorobenzamide?
N-[[1-(5-chloro-2-fluorobenzoyl)piperidin-3-yl]methyl]-4-fluorobenzamide has a molecular weight of 392.83 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(5-chloro-2-fluorobenzoyl)piperidin-3-yl]methyl]-4-fluorobenzamide is sourced from PubChem (CID 24792073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).