4-bromo-N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide

C25H25BrN2O2 — CID 118063178

IUPAC4-bromo-N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide
SMILESCN1CCC(Oc2ccc(-c3ccc(NC(=O)c4ccc(Br)cc4)cc3)cc2)CC1
InChIInChI=1S/C25H25BrN2O2/c1-28-16-14-24(15-17-28)30-23-12-6-19(7-13-23)18-4-10-22(11-5-18)27-25(29)20-2-8-21(26)9-3-20/h2-13,24H,14-17H2,1H3,(H,27,29)
InChIKeyFRZDTYHSRDSAFS-UHFFFAOYSA-N
MW465.39 g/mol
LogP5.84
Rot. Bonds5

About 4-bromo-N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide

4-bromo-N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide (PubChem CID 118063178) has the molecular formula C25H25BrN2O2 and a molecular weight of 465.39 g/mol. Its IUPAC name is 4-bromo-N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide
PubChem CID118063178
Molecular FormulaC25H25BrN2O2
Molecular Weight465.39 g/mol
Exact Mass464.11
IUPAC Name4-bromo-N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide
SMILESCN1CCC(Oc2ccc(-c3ccc(NC(=O)c4ccc(Br)cc4)cc3)cc2)CC1
InChIInChI=1S/C25H25BrN2O2/c1-28-16-14-24(15-17-28)30-23-12-6-19(7-13-23)18-4-10-22(11-5-18)27-25(29)20-2-8-21(26)9-3-20/h2-13,24H,14-17H2,1H3,(H,27,29)
InChIKeyFRZDTYHSRDSAFS-UHFFFAOYSA-N
XLogP5.84
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.39
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide?
The IUPAC name of 4-bromo-N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide (CID 118063178) is 4-bromo-N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide.
What is the SMILES notation for 4-bromo-N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide?
The canonical SMILES for 4-bromo-N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide is CN1CCC(Oc2ccc(-c3ccc(NC(=O)c4ccc(Br)cc4)cc3)cc2)CC1.
What is the InChIKey of 4-bromo-N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide?
The InChIKey is FRZDTYHSRDSAFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25BrN2O2/c1-28-16-14-24(15-17-28)30-23-12-6-19(7-13-23)18-4-10-22(11-5-18)27-25(29)20-2-8-21(26)9-3-20/h2-13,24H,14-17H2,1H3,(H,27,29).
What are the key properties of 4-bromo-N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide?
4-bromo-N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide has a molecular weight of 465.39 g/mol, XLogP of 5.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide is sourced from PubChem (CID 118063178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).