N-[2-[2-(3-fluorophenyl)-4-(3-hydroxycyclohexyl)oxyphenyl]ethyl]acetamide

C22H26FNO3 — CID 127033580

IUPACN-[2-[2-(3-fluorophenyl)-4-(3-hydroxycyclohexyl)oxyphenyl]ethyl]acetamide
SMILESCC(=O)NCCc1ccc(OC2CCCC(O)C2)cc1-c1cccc(F)c1
InChIInChI=1S/C22H26FNO3/c1-15(25)24-11-10-16-8-9-21(27-20-7-3-6-19(26)13-20)14-22(16)17-4-2-5-18(23)12-17/h2,4-5,8-9,12,14,19-20,26H,3,6-7,10-11,13H2,1H3,(H,24,25)
InChIKeyOPQQTXIBRDUNLP-UHFFFAOYSA-N
MW371.45 g/mol
LogP3.85
Rot. Bonds6

About N-[2-[2-(3-fluorophenyl)-4-(3-hydroxycyclohexyl)oxyphenyl]ethyl]acetamide

N-[2-[2-(3-fluorophenyl)-4-(3-hydroxycyclohexyl)oxyphenyl]ethyl]acetamide (PubChem CID 127033580) has the molecular formula C22H26FNO3 and a molecular weight of 371.45 g/mol. Its IUPAC name is N-[2-[2-(3-fluorophenyl)-4-(3-hydroxycyclohexyl)oxyphenyl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[2-(3-fluorophenyl)-4-(3-hydroxycyclohexyl)oxyphenyl]ethyl]acetamide
PubChem CID127033580
Molecular FormulaC22H26FNO3
Molecular Weight371.45 g/mol
Exact Mass371.19
IUPAC NameN-[2-[2-(3-fluorophenyl)-4-(3-hydroxycyclohexyl)oxyphenyl]ethyl]acetamide
SMILESCC(=O)NCCc1ccc(OC2CCCC(O)C2)cc1-c1cccc(F)c1
InChIInChI=1S/C22H26FNO3/c1-15(25)24-11-10-16-8-9-21(27-20-7-3-6-19(26)13-20)14-22(16)17-4-2-5-18(23)12-17/h2,4-5,8-9,12,14,19-20,26H,3,6-7,10-11,13H2,1H3,(H,24,25)
InChIKeyOPQQTXIBRDUNLP-UHFFFAOYSA-N
XLogP3.85
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.45
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3-fluorophenyl)-4-(3-hydroxycyclohexyl)oxyphenyl]ethyl]acetamide?
The IUPAC name of N-[2-[2-(3-fluorophenyl)-4-(3-hydroxycyclohexyl)oxyphenyl]ethyl]acetamide (CID 127033580) is N-[2-[2-(3-fluorophenyl)-4-(3-hydroxycyclohexyl)oxyphenyl]ethyl]acetamide.
What is the SMILES notation for N-[2-[2-(3-fluorophenyl)-4-(3-hydroxycyclohexyl)oxyphenyl]ethyl]acetamide?
The canonical SMILES for N-[2-[2-(3-fluorophenyl)-4-(3-hydroxycyclohexyl)oxyphenyl]ethyl]acetamide is CC(=O)NCCc1ccc(OC2CCCC(O)C2)cc1-c1cccc(F)c1.
What is the InChIKey of N-[2-[2-(3-fluorophenyl)-4-(3-hydroxycyclohexyl)oxyphenyl]ethyl]acetamide?
The InChIKey is OPQQTXIBRDUNLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FNO3/c1-15(25)24-11-10-16-8-9-21(27-20-7-3-6-19(26)13-20)14-22(16)17-4-2-5-18(23)12-17/h2,4-5,8-9,12,14,19-20,26H,3,6-7,10-11,13H2,1H3,(H,24,25).
What are the key properties of N-[2-[2-(3-fluorophenyl)-4-(3-hydroxycyclohexyl)oxyphenyl]ethyl]acetamide?
N-[2-[2-(3-fluorophenyl)-4-(3-hydroxycyclohexyl)oxyphenyl]ethyl]acetamide has a molecular weight of 371.45 g/mol, XLogP of 3.85, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(3-fluorophenyl)-4-(3-hydroxycyclohexyl)oxyphenyl]ethyl]acetamide is sourced from PubChem (CID 127033580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).