4-bromo-2-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-6-fluorobenzamide

C19H19BrClFN2O2 — CID 133441348

IUPAC4-bromo-2-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-6-fluorobenzamide
SMILESNC(=O)c1c(F)cc(Br)cc1N1CCC(C(O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H19BrClFN2O2/c20-13-9-15(22)17(19(23)26)16(10-13)24-7-5-12(6-8-24)18(25)11-1-3-14(21)4-2-11/h1-4,9-10,12,18,25H,5-8H2,(H2,23,26)
InChIKeyAEMMWNPLFMUPIJ-UHFFFAOYSA-N
MW441.73 g/mol
LogP4.29
Rot. Bonds4

About 4-bromo-2-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-6-fluorobenzamide

4-bromo-2-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-6-fluorobenzamide (PubChem CID 133441348) has the molecular formula C19H19BrClFN2O2 and a molecular weight of 441.73 g/mol. Its IUPAC name is 4-bromo-2-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-6-fluorobenzamide.

Molecular Properties

Compound Name4-bromo-2-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-6-fluorobenzamide
PubChem CID133441348
Molecular FormulaC19H19BrClFN2O2
Molecular Weight441.73 g/mol
Exact Mass440.03
IUPAC Name4-bromo-2-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-6-fluorobenzamide
SMILESNC(=O)c1c(F)cc(Br)cc1N1CCC(C(O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H19BrClFN2O2/c20-13-9-15(22)17(19(23)26)16(10-13)24-7-5-12(6-8-24)18(25)11-1-3-14(21)4-2-11/h1-4,9-10,12,18,25H,5-8H2,(H2,23,26)
InChIKeyAEMMWNPLFMUPIJ-UHFFFAOYSA-N
XLogP4.29
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.73
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-6-fluorobenzamide?
The IUPAC name of 4-bromo-2-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-6-fluorobenzamide (CID 133441348) is 4-bromo-2-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-6-fluorobenzamide.
What is the SMILES notation for 4-bromo-2-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-6-fluorobenzamide?
The canonical SMILES for 4-bromo-2-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-6-fluorobenzamide is NC(=O)c1c(F)cc(Br)cc1N1CCC(C(O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 4-bromo-2-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-6-fluorobenzamide?
The InChIKey is AEMMWNPLFMUPIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrClFN2O2/c20-13-9-15(22)17(19(23)26)16(10-13)24-7-5-12(6-8-24)18(25)11-1-3-14(21)4-2-11/h1-4,9-10,12,18,25H,5-8H2,(H2,23,26).
What are the key properties of 4-bromo-2-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-6-fluorobenzamide?
4-bromo-2-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-6-fluorobenzamide has a molecular weight of 441.73 g/mol, XLogP of 4.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-6-fluorobenzamide is sourced from PubChem (CID 133441348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).