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

C22H26FNO3 — CID 127032657

IUPACN-[2-[2-(3-fluorophenyl)-4-(4-hydroxycyclohexyl)oxyphenyl]ethyl]acetamide
SMILESCC(=O)NCCc1ccc(OC2CCC(O)CC2)cc1-c1cccc(F)c1
InChIInChI=1S/C22H26FNO3/c1-15(25)24-12-11-16-5-8-21(27-20-9-6-19(26)7-10-20)14-22(16)17-3-2-4-18(23)13-17/h2-5,8,13-14,19-20,26H,6-7,9-12H2,1H3,(H,24,25)
InChIKeyIYONIYSIEDURPH-UHFFFAOYSA-N
MW371.45 g/mol
LogP3.85
Rot. Bonds6

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

N-[2-[2-(3-fluorophenyl)-4-(4-hydroxycyclohexyl)oxyphenyl]ethyl]acetamide (PubChem CID 127032657) has the molecular formula C22H26FNO3 and a molecular weight of 371.45 g/mol. Its IUPAC name is N-[2-[2-(3-fluorophenyl)-4-(4-hydroxycyclohexyl)oxyphenyl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[2-(3-fluorophenyl)-4-(4-hydroxycyclohexyl)oxyphenyl]ethyl]acetamide
PubChem CID127032657
Molecular FormulaC22H26FNO3
Molecular Weight371.45 g/mol
Exact Mass371.19
IUPAC NameN-[2-[2-(3-fluorophenyl)-4-(4-hydroxycyclohexyl)oxyphenyl]ethyl]acetamide
SMILESCC(=O)NCCc1ccc(OC2CCC(O)CC2)cc1-c1cccc(F)c1
InChIInChI=1S/C22H26FNO3/c1-15(25)24-12-11-16-5-8-21(27-20-9-6-19(26)7-10-20)14-22(16)17-3-2-4-18(23)13-17/h2-5,8,13-14,19-20,26H,6-7,9-12H2,1H3,(H,24,25)
InChIKeyIYONIYSIEDURPH-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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Related Compounds

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CID 60148493
(Hydroxymethylphenyl)agomelatine
CID 9798456
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N-[(6-Methoxy-9-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)methyl]acetamide
CID 11185529
Bomppa
CID 71508234
2,2,2-Trifluoro-N-[2-(6-methoxy-2-phenyl-3H-inden-1-yl)-ethyl]-acetamide
CID 9841851
N-[2-(7-methoxy-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]acetamide
CID 9927233
N-[2-(7-{4-(4''-Hydroxymethylbiphenyl-4-yloxy}butoxy)-naphthalen-1-yl)ethyl]acetamide
CID 10163052
N-[2-(3-(3-Methoxymethylphenyl)-7-methoxynaphth-1-yl)ethyl]acetamide
CID 12985493
N-[2-(3-(3-Hydroxymethylphenyl)-7-methoxynaphth-1-yl)ethyl]propionamide
CID 12985494
N-[2-(3-(3-Hydroxymethylphenyl)-7-methoxynaphth-1-yl)ethyl]butyramide
CID 12985495
N-[2-(3H-Benzo[f]chromen-10-yl)-ethyl]-acetamide
CID 15340632

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3-fluorophenyl)-4-(4-hydroxycyclohexyl)oxyphenyl]ethyl]acetamide?
The IUPAC name of N-[2-[2-(3-fluorophenyl)-4-(4-hydroxycyclohexyl)oxyphenyl]ethyl]acetamide (CID 127032657) is N-[2-[2-(3-fluorophenyl)-4-(4-hydroxycyclohexyl)oxyphenyl]ethyl]acetamide.
What is the SMILES notation for N-[2-[2-(3-fluorophenyl)-4-(4-hydroxycyclohexyl)oxyphenyl]ethyl]acetamide?
The canonical SMILES for N-[2-[2-(3-fluorophenyl)-4-(4-hydroxycyclohexyl)oxyphenyl]ethyl]acetamide is CC(=O)NCCc1ccc(OC2CCC(O)CC2)cc1-c1cccc(F)c1.
What is the InChIKey of N-[2-[2-(3-fluorophenyl)-4-(4-hydroxycyclohexyl)oxyphenyl]ethyl]acetamide?
The InChIKey is IYONIYSIEDURPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FNO3/c1-15(25)24-12-11-16-5-8-21(27-20-9-6-19(26)7-10-20)14-22(16)17-3-2-4-18(23)13-17/h2-5,8,13-14,19-20,26H,6-7,9-12H2,1H3,(H,24,25).
What are the key properties of N-[2-[2-(3-fluorophenyl)-4-(4-hydroxycyclohexyl)oxyphenyl]ethyl]acetamide?
N-[2-[2-(3-fluorophenyl)-4-(4-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-(4-hydroxycyclohexyl)oxyphenyl]ethyl]acetamide is sourced from PubChem (CID 127032657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).