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

C15H16FNO2 — CID 162686350

IUPACN-[2-(2-fluoro-7-methoxynaphthalen-1-yl)ethyl]acetamide
SMILESCOc1ccc2ccc(F)c(CCNC(C)=O)c2c1
InChIInChI=1S/C15H16FNO2/c1-10(18)17-8-7-13-14-9-12(19-2)5-3-11(14)4-6-15(13)16/h3-6,9H,7-8H2,1-2H3,(H,17,18)
InChIKeyORJVENPPQHAWGK-UHFFFAOYSA-N
MW261.30 g/mol
LogP2.67
Rot. Bonds4

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

N-[2-(2-fluoro-7-methoxynaphthalen-1-yl)ethyl]acetamide (PubChem CID 162686350) has the molecular formula C15H16FNO2 and a molecular weight of 261.30 g/mol. Its IUPAC name is N-[2-(2-fluoro-7-methoxynaphthalen-1-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(2-fluoro-7-methoxynaphthalen-1-yl)ethyl]acetamide
PubChem CID162686350
Molecular FormulaC15H16FNO2
Molecular Weight261.30 g/mol
Exact Mass261.12
IUPAC NameN-[2-(2-fluoro-7-methoxynaphthalen-1-yl)ethyl]acetamide
SMILESCOc1ccc2ccc(F)c(CCNC(C)=O)c2c1
InChIInChI=1S/C15H16FNO2/c1-10(18)17-8-7-13-14-9-12(19-2)5-3-11(14)4-6-15(13)16/h3-6,9H,7-8H2,1-2H3,(H,17,18)
InChIKeyORJVENPPQHAWGK-UHFFFAOYSA-N
XLogP2.67
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2-fluoro-5-methoxyphenyl)ethyl]acetamide
CID 86035442
N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide
CID 139057200
methanol;N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide
CID 174597749
N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide;sulfuric acid
CID 71529133
N-[2-(7-methoxy-3-methylisoquinolin-1-yl)ethyl]acetamide
CID 162686325
N-[2-(3-bromo-7-methoxynaphthalen-1-yl)ethyl]acetamide
CID 12985488
N-[2-(1,2-dihydroxy-5-methoxyindol-3-yl)ethyl]acetamide
CID 125304874
N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide;propanedioic acid
CID 71477284
N-[2-(2-acetyl-5-methoxy-1H-indol-3-yl)ethyl]acetamide
CID 15382326
N-[2-[3-(hydroxymethyl)-7-methoxynaphthalen-1-yl]ethyl]acetamide
CID 25167837
N-[3-(7-methoxynaphthalen-1-yl)propyl]acetamide
CID 10220759
N-[2-(2-bromo-5-methoxy-1-methylindol-3-yl)ethyl]acetamide
CID 19082416

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluoro-7-methoxynaphthalen-1-yl)ethyl]acetamide?
The IUPAC name of N-[2-(2-fluoro-7-methoxynaphthalen-1-yl)ethyl]acetamide (CID 162686350) is N-[2-(2-fluoro-7-methoxynaphthalen-1-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-(2-fluoro-7-methoxynaphthalen-1-yl)ethyl]acetamide?
The canonical SMILES for N-[2-(2-fluoro-7-methoxynaphthalen-1-yl)ethyl]acetamide is COc1ccc2ccc(F)c(CCNC(C)=O)c2c1.
What is the InChIKey of N-[2-(2-fluoro-7-methoxynaphthalen-1-yl)ethyl]acetamide?
The InChIKey is ORJVENPPQHAWGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO2/c1-10(18)17-8-7-13-14-9-12(19-2)5-3-11(14)4-6-15(13)16/h3-6,9H,7-8H2,1-2H3,(H,17,18).
What are the key properties of N-[2-(2-fluoro-7-methoxynaphthalen-1-yl)ethyl]acetamide?
N-[2-(2-fluoro-7-methoxynaphthalen-1-yl)ethyl]acetamide has a molecular weight of 261.30 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluoro-7-methoxynaphthalen-1-yl)ethyl]acetamide is sourced from PubChem (CID 162686350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).