N-[2-(4-fluoro-7-hydroxynaphthalen-1-yl)ethyl]acetamide

C14H14FNO2 — CID 162686390

IUPACN-[2-(4-fluoro-7-hydroxynaphthalen-1-yl)ethyl]acetamide
SMILESCC(=O)NCCc1ccc(F)c2ccc(O)cc12
InChIInChI=1S/C14H14FNO2/c1-9(17)16-7-6-10-2-5-14(15)12-4-3-11(18)8-13(10)12/h2-5,8,18H,6-7H2,1H3,(H,16,17)
InChIKeyXCGQPDUYGXYPRD-UHFFFAOYSA-N
MW247.27 g/mol
LogP2.36
Rot. Bonds3

About N-[2-(4-fluoro-7-hydroxynaphthalen-1-yl)ethyl]acetamide

N-[2-(4-fluoro-7-hydroxynaphthalen-1-yl)ethyl]acetamide (PubChem CID 162686390) has the molecular formula C14H14FNO2 and a molecular weight of 247.27 g/mol. Its IUPAC name is N-[2-(4-fluoro-7-hydroxynaphthalen-1-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(4-fluoro-7-hydroxynaphthalen-1-yl)ethyl]acetamide
PubChem CID162686390
Molecular FormulaC14H14FNO2
Molecular Weight247.27 g/mol
Exact Mass247.10
IUPAC NameN-[2-(4-fluoro-7-hydroxynaphthalen-1-yl)ethyl]acetamide
SMILESCC(=O)NCCc1ccc(F)c2ccc(O)cc12
InChIInChI=1S/C14H14FNO2/c1-9(17)16-7-6-10-2-5-14(15)12-4-3-11(18)8-13(10)12/h2-5,8,18H,6-7H2,1H3,(H,16,17)
InChIKeyXCGQPDUYGXYPRD-UHFFFAOYSA-N
XLogP2.36
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2-fluoro-5-methoxyphenyl)ethyl]acetamide
CID 86035442
N-[2-[5-(2-chloroacetyl)-2-fluorophenyl]ethyl]acetamide
CID 71755478
N-[2-(4-formyl-7-methoxynaphthalen-1-yl)ethyl]acetamide
CID 22133314
N-[2-(2-bromo-5-fluorophenyl)ethyl]acetamide
CID 66717796
3-(2-aminoethyl)-1H-indol-5-ol;N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide
CID 69014970
3-(2-aminoethyl)-1H-indol-5-ol;deuterium monohydride;methane;N-[2-(5-methyl-1H-indol-3-yl)ethyl]acetamide;hydrochloride
CID 158992514
N-[2-(4,5-difluoro-1H-indol-3-yl)ethyl]acetamide
CID 162744824
N-[2-(2-fluoro-7-methoxynaphthalen-1-yl)ethyl]acetamide
CID 162686350
2-fluoro-N-[2-(5-hydroxy-1-methylindol-3-yl)ethyl]benzamide
CID 84579411
N-[2-(5-chloro-2-sulfamoylphenyl)ethyl]acetamide
CID 118162125
N-[2-[2-(2-fluorophenyl)ethylamino]ethyl]acetamide
CID 103604204
[3-(2-acetamidoethyl)-5-hydroxy-2-methylindol-1-yl] thiohypoiodite
CID 129082973

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluoro-7-hydroxynaphthalen-1-yl)ethyl]acetamide?
The IUPAC name of N-[2-(4-fluoro-7-hydroxynaphthalen-1-yl)ethyl]acetamide (CID 162686390) is N-[2-(4-fluoro-7-hydroxynaphthalen-1-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-(4-fluoro-7-hydroxynaphthalen-1-yl)ethyl]acetamide?
The canonical SMILES for N-[2-(4-fluoro-7-hydroxynaphthalen-1-yl)ethyl]acetamide is CC(=O)NCCc1ccc(F)c2ccc(O)cc12.
What is the InChIKey of N-[2-(4-fluoro-7-hydroxynaphthalen-1-yl)ethyl]acetamide?
The InChIKey is XCGQPDUYGXYPRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO2/c1-9(17)16-7-6-10-2-5-14(15)12-4-3-11(18)8-13(10)12/h2-5,8,18H,6-7H2,1H3,(H,16,17).
What are the key properties of N-[2-(4-fluoro-7-hydroxynaphthalen-1-yl)ethyl]acetamide?
N-[2-(4-fluoro-7-hydroxynaphthalen-1-yl)ethyl]acetamide has a molecular weight of 247.27 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluoro-7-hydroxynaphthalen-1-yl)ethyl]acetamide is sourced from PubChem (CID 162686390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).