N-[4-fluoro-2-[(2S)-3-(5-fluorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)-2-hydroxypropoxy]phenyl]acetamide

C23H26F2N2O4 — CID 68959963

IUPACN-[4-fluoro-2-[(2S)-3-(5-fluorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)-2-hydroxypropoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(F)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(F)ccc1O2
InChIInChI=1S/C23H26F2N2O4/c1-15(28)26-20-4-2-18(25)11-22(20)30-14-19(29)13-27-8-6-23(7-9-27)12-16-10-17(24)3-5-21(16)31-23/h2-5,10-11,19,29H,6-9,12-14H2,1H3,(H,26,28)/t19-/m0/s1
InChIKeyMQFZZRAWHHBMEC-IBGZPJMESA-N
MW432.47 g/mol
LogP3.13
Rot. Bonds6

About N-[4-fluoro-2-[(2S)-3-(5-fluorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)-2-hydroxypropoxy]phenyl]acetamide

N-[4-fluoro-2-[(2S)-3-(5-fluorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)-2-hydroxypropoxy]phenyl]acetamide (PubChem CID 68959963) has the molecular formula C23H26F2N2O4 and a molecular weight of 432.47 g/mol. Its IUPAC name is N-[4-fluoro-2-[(2S)-3-(5-fluorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)-2-hydroxypropoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-fluoro-2-[(2S)-3-(5-fluorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)-2-hydroxypropoxy]phenyl]acetamide
PubChem CID68959963
Molecular FormulaC23H26F2N2O4
Molecular Weight432.47 g/mol
Exact Mass432.19
IUPAC NameN-[4-fluoro-2-[(2S)-3-(5-fluorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)-2-hydroxypropoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(F)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(F)ccc1O2
InChIInChI=1S/C23H26F2N2O4/c1-15(28)26-20-4-2-18(25)11-22(20)30-14-19(29)13-27-8-6-23(7-9-27)12-16-10-17(24)3-5-21(16)31-23/h2-5,10-11,19,29H,6-9,12-14H2,1H3,(H,26,28)/t19-/m0/s1
InChIKeyMQFZZRAWHHBMEC-IBGZPJMESA-N
XLogP3.13
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.47
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-2-[(2S)-3-(5-fluorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)-2-hydroxypropoxy]phenyl]acetamide?
The IUPAC name of N-[4-fluoro-2-[(2S)-3-(5-fluorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)-2-hydroxypropoxy]phenyl]acetamide (CID 68959963) is N-[4-fluoro-2-[(2S)-3-(5-fluorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)-2-hydroxypropoxy]phenyl]acetamide.
What is the SMILES notation for N-[4-fluoro-2-[(2S)-3-(5-fluorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)-2-hydroxypropoxy]phenyl]acetamide?
The canonical SMILES for N-[4-fluoro-2-[(2S)-3-(5-fluorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)-2-hydroxypropoxy]phenyl]acetamide is CC(=O)Nc1ccc(F)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(F)ccc1O2.
What is the InChIKey of N-[4-fluoro-2-[(2S)-3-(5-fluorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)-2-hydroxypropoxy]phenyl]acetamide?
The InChIKey is MQFZZRAWHHBMEC-IBGZPJMESA-N. The full InChI is InChI=1S/C23H26F2N2O4/c1-15(28)26-20-4-2-18(25)11-22(20)30-14-19(29)13-27-8-6-23(7-9-27)12-16-10-17(24)3-5-21(16)31-23/h2-5,10-11,19,29H,6-9,12-14H2,1H3,(H,26,28)/t19-/m0/s1.
What are the key properties of N-[4-fluoro-2-[(2S)-3-(5-fluorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)-2-hydroxypropoxy]phenyl]acetamide?
N-[4-fluoro-2-[(2S)-3-(5-fluorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)-2-hydroxypropoxy]phenyl]acetamide has a molecular weight of 432.47 g/mol, XLogP of 3.13, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-2-[(2S)-3-(5-fluorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)-2-hydroxypropoxy]phenyl]acetamide is sourced from PubChem (CID 68959963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).