N-[4-[3-[3-(2,7-diazaspiro[3.5]nonan-7-yl)phenyl]-2-hydroxyphenyl]-2-fluorophenyl]acetamide

C27H28FN3O2 — CID 166166934

IUPACN-[4-[3-[3-(2,7-diazaspiro[3.5]nonan-7-yl)phenyl]-2-hydroxyphenyl]-2-fluorophenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2cccc(-c3cccc(N4CCC5(CC4)CNC5)c3)c2O)cc1F
InChIInChI=1S/C27H28FN3O2/c1-18(32)30-25-9-8-20(15-24(25)28)23-7-3-6-22(26(23)33)19-4-2-5-21(14-19)31-12-10-27(11-13-31)16-29-17-27/h2-9,14-15,29,33H,10-13,16-17H2,1H3,(H,30,32)
InChIKeyPUUMHKLKDPUSGP-UHFFFAOYSA-N
MW445.54 g/mol
LogP5.01
Rot. Bonds4

About N-[4-[3-[3-(2,7-diazaspiro[3.5]nonan-7-yl)phenyl]-2-hydroxyphenyl]-2-fluorophenyl]acetamide

N-[4-[3-[3-(2,7-diazaspiro[3.5]nonan-7-yl)phenyl]-2-hydroxyphenyl]-2-fluorophenyl]acetamide (PubChem CID 166166934) has the molecular formula C27H28FN3O2 and a molecular weight of 445.54 g/mol. Its IUPAC name is N-[4-[3-[3-(2,7-diazaspiro[3.5]nonan-7-yl)phenyl]-2-hydroxyphenyl]-2-fluorophenyl]acetamide.

Molecular Properties

Compound NameN-[4-[3-[3-(2,7-diazaspiro[3.5]nonan-7-yl)phenyl]-2-hydroxyphenyl]-2-fluorophenyl]acetamide
PubChem CID166166934
Molecular FormulaC27H28FN3O2
Molecular Weight445.54 g/mol
Exact Mass445.22
IUPAC NameN-[4-[3-[3-(2,7-diazaspiro[3.5]nonan-7-yl)phenyl]-2-hydroxyphenyl]-2-fluorophenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2cccc(-c3cccc(N4CCC5(CC4)CNC5)c3)c2O)cc1F
InChIInChI=1S/C27H28FN3O2/c1-18(32)30-25-9-8-20(15-24(25)28)23-7-3-6-22(26(23)33)19-4-2-5-21(14-19)31-12-10-27(11-13-31)16-29-17-27/h2-9,14-15,29,33H,10-13,16-17H2,1H3,(H,30,32)
InChIKeyPUUMHKLKDPUSGP-UHFFFAOYSA-N
XLogP5.01
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.54
LogP ≤ 55.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[3-[3-(2,7-diazaspiro[3.5]nonan-7-yl)phenyl]-2-hydroxyphenyl]-2-fluorophenyl]acetamide?
The IUPAC name of N-[4-[3-[3-(2,7-diazaspiro[3.5]nonan-7-yl)phenyl]-2-hydroxyphenyl]-2-fluorophenyl]acetamide (CID 166166934) is N-[4-[3-[3-(2,7-diazaspiro[3.5]nonan-7-yl)phenyl]-2-hydroxyphenyl]-2-fluorophenyl]acetamide.
What is the SMILES notation for N-[4-[3-[3-(2,7-diazaspiro[3.5]nonan-7-yl)phenyl]-2-hydroxyphenyl]-2-fluorophenyl]acetamide?
The canonical SMILES for N-[4-[3-[3-(2,7-diazaspiro[3.5]nonan-7-yl)phenyl]-2-hydroxyphenyl]-2-fluorophenyl]acetamide is CC(=O)Nc1ccc(-c2cccc(-c3cccc(N4CCC5(CC4)CNC5)c3)c2O)cc1F.
What is the InChIKey of N-[4-[3-[3-(2,7-diazaspiro[3.5]nonan-7-yl)phenyl]-2-hydroxyphenyl]-2-fluorophenyl]acetamide?
The InChIKey is PUUMHKLKDPUSGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28FN3O2/c1-18(32)30-25-9-8-20(15-24(25)28)23-7-3-6-22(26(23)33)19-4-2-5-21(14-19)31-12-10-27(11-13-31)16-29-17-27/h2-9,14-15,29,33H,10-13,16-17H2,1H3,(H,30,32).
What are the key properties of N-[4-[3-[3-(2,7-diazaspiro[3.5]nonan-7-yl)phenyl]-2-hydroxyphenyl]-2-fluorophenyl]acetamide?
N-[4-[3-[3-(2,7-diazaspiro[3.5]nonan-7-yl)phenyl]-2-hydroxyphenyl]-2-fluorophenyl]acetamide has a molecular weight of 445.54 g/mol, XLogP of 5.01, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-[3-(2,7-diazaspiro[3.5]nonan-7-yl)phenyl]-2-hydroxyphenyl]-2-fluorophenyl]acetamide is sourced from PubChem (CID 166166934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).