N-[2-(3-fluoro-7-methoxynaphthalen-1-yl)ethyl]acetamide

C15H16FNO2 — CID 25113813

IUPACN-[2-(3-fluoro-7-methoxynaphthalen-1-yl)ethyl]acetamide
SMILESCOc1ccc2cc(F)cc(CCNC(C)=O)c2c1
InChIInChI=1S/C15H16FNO2/c1-10(18)17-6-5-12-8-13(16)7-11-3-4-14(19-2)9-15(11)12/h3-4,7-9H,5-6H2,1-2H3,(H,17,18)
InChIKeyNHUXIOLNBLTPDJ-UHFFFAOYSA-N
MW261.30 g/mol
LogP2.67
Rot. Bonds4

About N-[2-(3-fluoro-7-methoxynaphthalen-1-yl)ethyl]acetamide

N-[2-(3-fluoro-7-methoxynaphthalen-1-yl)ethyl]acetamide (PubChem CID 25113813) has the molecular formula C15H16FNO2 and a molecular weight of 261.30 g/mol. Its IUPAC name is N-[2-(3-fluoro-7-methoxynaphthalen-1-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(3-fluoro-7-methoxynaphthalen-1-yl)ethyl]acetamide
PubChem CID25113813
Molecular FormulaC15H16FNO2
Molecular Weight261.30 g/mol
Exact Mass261.12
IUPAC NameN-[2-(3-fluoro-7-methoxynaphthalen-1-yl)ethyl]acetamide
SMILESCOc1ccc2cc(F)cc(CCNC(C)=O)c2c1
InChIInChI=1S/C15H16FNO2/c1-10(18)17-6-5-12-8-13(16)7-11-3-4-14(19-2)9-15(11)12/h3-4,7-9H,5-6H2,1-2H3,(H,17,18)
InChIKeyNHUXIOLNBLTPDJ-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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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluoro-7-methoxynaphthalen-1-yl)ethyl]acetamide?
The IUPAC name of N-[2-(3-fluoro-7-methoxynaphthalen-1-yl)ethyl]acetamide (CID 25113813) is N-[2-(3-fluoro-7-methoxynaphthalen-1-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-(3-fluoro-7-methoxynaphthalen-1-yl)ethyl]acetamide?
The canonical SMILES for N-[2-(3-fluoro-7-methoxynaphthalen-1-yl)ethyl]acetamide is COc1ccc2cc(F)cc(CCNC(C)=O)c2c1.
What is the InChIKey of N-[2-(3-fluoro-7-methoxynaphthalen-1-yl)ethyl]acetamide?
The InChIKey is NHUXIOLNBLTPDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO2/c1-10(18)17-6-5-12-8-13(16)7-11-3-4-14(19-2)9-15(11)12/h3-4,7-9H,5-6H2,1-2H3,(H,17,18).
What are the key properties of N-[2-(3-fluoro-7-methoxynaphthalen-1-yl)ethyl]acetamide?
N-[2-(3-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-(3-fluoro-7-methoxynaphthalen-1-yl)ethyl]acetamide is sourced from PubChem (CID 25113813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).