4-bromo-2-fluoro-6-[4-(oxan-4-yloxy)piperidin-1-yl]benzamide

C17H22BrFN2O3 — CID 133441567

IUPAC4-bromo-2-fluoro-6-[4-(oxan-4-yloxy)piperidin-1-yl]benzamide
SMILESNC(=O)c1c(F)cc(Br)cc1N1CCC(OC2CCOCC2)CC1
InChIInChI=1S/C17H22BrFN2O3/c18-11-9-14(19)16(17(20)22)15(10-11)21-5-1-12(2-6-21)24-13-3-7-23-8-4-13/h9-10,12-13H,1-8H2,(H2,20,22)
InChIKeyFSROLAQGWWPUHD-UHFFFAOYSA-N
MW401.28 g/mol
LogP2.85
Rot. Bonds4

About 4-bromo-2-fluoro-6-[4-(oxan-4-yloxy)piperidin-1-yl]benzamide

4-bromo-2-fluoro-6-[4-(oxan-4-yloxy)piperidin-1-yl]benzamide (PubChem CID 133441567) has the molecular formula C17H22BrFN2O3 and a molecular weight of 401.28 g/mol. Its IUPAC name is 4-bromo-2-fluoro-6-[4-(oxan-4-yloxy)piperidin-1-yl]benzamide.

Molecular Properties

Compound Name4-bromo-2-fluoro-6-[4-(oxan-4-yloxy)piperidin-1-yl]benzamide
PubChem CID133441567
Molecular FormulaC17H22BrFN2O3
Molecular Weight401.28 g/mol
Exact Mass400.08
IUPAC Name4-bromo-2-fluoro-6-[4-(oxan-4-yloxy)piperidin-1-yl]benzamide
SMILESNC(=O)c1c(F)cc(Br)cc1N1CCC(OC2CCOCC2)CC1
InChIInChI=1S/C17H22BrFN2O3/c18-11-9-14(19)16(17(20)22)15(10-11)21-5-1-12(2-6-21)24-13-3-7-23-8-4-13/h9-10,12-13H,1-8H2,(H2,20,22)
InChIKeyFSROLAQGWWPUHD-UHFFFAOYSA-N
XLogP2.85
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.28
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoro-6-[4-(oxan-4-yloxy)piperidin-1-yl]benzamide?
The IUPAC name of 4-bromo-2-fluoro-6-[4-(oxan-4-yloxy)piperidin-1-yl]benzamide (CID 133441567) is 4-bromo-2-fluoro-6-[4-(oxan-4-yloxy)piperidin-1-yl]benzamide.
What is the SMILES notation for 4-bromo-2-fluoro-6-[4-(oxan-4-yloxy)piperidin-1-yl]benzamide?
The canonical SMILES for 4-bromo-2-fluoro-6-[4-(oxan-4-yloxy)piperidin-1-yl]benzamide is NC(=O)c1c(F)cc(Br)cc1N1CCC(OC2CCOCC2)CC1.
What is the InChIKey of 4-bromo-2-fluoro-6-[4-(oxan-4-yloxy)piperidin-1-yl]benzamide?
The InChIKey is FSROLAQGWWPUHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrFN2O3/c18-11-9-14(19)16(17(20)22)15(10-11)21-5-1-12(2-6-21)24-13-3-7-23-8-4-13/h9-10,12-13H,1-8H2,(H2,20,22).
What are the key properties of 4-bromo-2-fluoro-6-[4-(oxan-4-yloxy)piperidin-1-yl]benzamide?
4-bromo-2-fluoro-6-[4-(oxan-4-yloxy)piperidin-1-yl]benzamide has a molecular weight of 401.28 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-fluoro-6-[4-(oxan-4-yloxy)piperidin-1-yl]benzamide is sourced from PubChem (CID 133441567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).