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

C14H14FNO — CID 25154198

IUPACN-[2-(7-fluoronaphthalen-1-yl)ethyl]acetamide
SMILESCC(=O)NCCc1cccc2ccc(F)cc12
InChIInChI=1S/C14H14FNO/c1-10(17)16-8-7-12-4-2-3-11-5-6-13(15)9-14(11)12/h2-6,9H,7-8H2,1H3,(H,16,17)
InChIKeyQQWMNEGEJXFXGC-UHFFFAOYSA-N
MW231.27 g/mol
LogP2.66
Rot. Bonds3

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

N-[2-(7-fluoronaphthalen-1-yl)ethyl]acetamide (PubChem CID 25154198) has the molecular formula C14H14FNO and a molecular weight of 231.27 g/mol. Its IUPAC name is N-[2-(7-fluoronaphthalen-1-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(7-fluoronaphthalen-1-yl)ethyl]acetamide
PubChem CID25154198
Molecular FormulaC14H14FNO
Molecular Weight231.27 g/mol
Exact Mass231.11
IUPAC NameN-[2-(7-fluoronaphthalen-1-yl)ethyl]acetamide
SMILESCC(=O)NCCc1cccc2ccc(F)cc12
InChIInChI=1S/C14H14FNO/c1-10(17)16-8-7-12-4-2-3-11-5-6-13(15)9-14(11)12/h2-6,9H,7-8H2,1H3,(H,16,17)
InChIKeyQQWMNEGEJXFXGC-UHFFFAOYSA-N
XLogP2.66
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.27
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[2-(7-fluoronaphthalen-1-yl)ethyl]acetamide?
The IUPAC name of N-[2-(7-fluoronaphthalen-1-yl)ethyl]acetamide (CID 25154198) is N-[2-(7-fluoronaphthalen-1-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-(7-fluoronaphthalen-1-yl)ethyl]acetamide?
The canonical SMILES for N-[2-(7-fluoronaphthalen-1-yl)ethyl]acetamide is CC(=O)NCCc1cccc2ccc(F)cc12.
What is the InChIKey of N-[2-(7-fluoronaphthalen-1-yl)ethyl]acetamide?
The InChIKey is QQWMNEGEJXFXGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO/c1-10(17)16-8-7-12-4-2-3-11-5-6-13(15)9-14(11)12/h2-6,9H,7-8H2,1H3,(H,16,17).
What are the key properties of N-[2-(7-fluoronaphthalen-1-yl)ethyl]acetamide?
N-[2-(7-fluoronaphthalen-1-yl)ethyl]acetamide has a molecular weight of 231.27 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(7-fluoronaphthalen-1-yl)ethyl]acetamide is sourced from PubChem (CID 25154198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).