5-[4-(2-aminoethyl)phenoxy]-2-fluoro-N-(piperidin-3-ylmethyl)benzamide

C21H26FN3O2 — CID 171386117

IUPAC5-[4-(2-aminoethyl)phenoxy]-2-fluoro-N-(piperidin-3-ylmethyl)benzamide
SMILESNCCc1ccc(Oc2ccc(F)c(C(=O)NCC3CCCNC3)c2)cc1
InChIInChI=1S/C21H26FN3O2/c22-20-8-7-18(27-17-5-3-15(4-6-17)9-10-23)12-19(20)21(26)25-14-16-2-1-11-24-13-16/h3-8,12,16,24H,1-2,9-11,13-14,23H2,(H,25,26)
InChIKeyUTFMRWXDNUDDNV-UHFFFAOYSA-N
MW371.46 g/mol
LogP2.85
Rot. Bonds7

About 5-[4-(2-aminoethyl)phenoxy]-2-fluoro-N-(piperidin-3-ylmethyl)benzamide

5-[4-(2-aminoethyl)phenoxy]-2-fluoro-N-(piperidin-3-ylmethyl)benzamide (PubChem CID 171386117) has the molecular formula C21H26FN3O2 and a molecular weight of 371.46 g/mol. Its IUPAC name is 5-[4-(2-aminoethyl)phenoxy]-2-fluoro-N-(piperidin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name5-[4-(2-aminoethyl)phenoxy]-2-fluoro-N-(piperidin-3-ylmethyl)benzamide
PubChem CID171386117
Molecular FormulaC21H26FN3O2
Molecular Weight371.46 g/mol
Exact Mass371.20
IUPAC Name5-[4-(2-aminoethyl)phenoxy]-2-fluoro-N-(piperidin-3-ylmethyl)benzamide
SMILESNCCc1ccc(Oc2ccc(F)c(C(=O)NCC3CCCNC3)c2)cc1
InChIInChI=1S/C21H26FN3O2/c22-20-8-7-18(27-17-5-3-15(4-6-17)9-10-23)12-19(20)21(26)25-14-16-2-1-11-24-13-16/h3-8,12,16,24H,1-2,9-11,13-14,23H2,(H,25,26)
InChIKeyUTFMRWXDNUDDNV-UHFFFAOYSA-N
XLogP2.85
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-aminoethyl)phenoxy]-2-fluoro-N-(piperidin-3-ylmethyl)benzamide?
The IUPAC name of 5-[4-(2-aminoethyl)phenoxy]-2-fluoro-N-(piperidin-3-ylmethyl)benzamide (CID 171386117) is 5-[4-(2-aminoethyl)phenoxy]-2-fluoro-N-(piperidin-3-ylmethyl)benzamide.
What is the SMILES notation for 5-[4-(2-aminoethyl)phenoxy]-2-fluoro-N-(piperidin-3-ylmethyl)benzamide?
The canonical SMILES for 5-[4-(2-aminoethyl)phenoxy]-2-fluoro-N-(piperidin-3-ylmethyl)benzamide is NCCc1ccc(Oc2ccc(F)c(C(=O)NCC3CCCNC3)c2)cc1.
What is the InChIKey of 5-[4-(2-aminoethyl)phenoxy]-2-fluoro-N-(piperidin-3-ylmethyl)benzamide?
The InChIKey is UTFMRWXDNUDDNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O2/c22-20-8-7-18(27-17-5-3-15(4-6-17)9-10-23)12-19(20)21(26)25-14-16-2-1-11-24-13-16/h3-8,12,16,24H,1-2,9-11,13-14,23H2,(H,25,26).
What are the key properties of 5-[4-(2-aminoethyl)phenoxy]-2-fluoro-N-(piperidin-3-ylmethyl)benzamide?
5-[4-(2-aminoethyl)phenoxy]-2-fluoro-N-(piperidin-3-ylmethyl)benzamide has a molecular weight of 371.46 g/mol, XLogP of 2.85, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-aminoethyl)phenoxy]-2-fluoro-N-(piperidin-3-ylmethyl)benzamide is sourced from PubChem (CID 171386117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).