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

C16H18FNO2 — CID 57381767

IUPACN-[2-[7-(2-fluoroethoxy)naphthalen-1-yl]ethyl]acetamide
SMILESCC(=O)NCCc1cccc2ccc(OCCF)cc12
InChIInChI=1S/C16H18FNO2/c1-12(19)18-9-7-14-4-2-3-13-5-6-15(11-16(13)14)20-10-8-17/h2-6,11H,7-10H2,1H3,(H,18,19)
InChIKeyJRZLHONFZWFZPE-UHFFFAOYSA-N
MW275.32 g/mol
LogP2.87
Rot. Bonds6

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

N-[2-[7-(2-fluoroethoxy)naphthalen-1-yl]ethyl]acetamide (PubChem CID 57381767) has the molecular formula C16H18FNO2 and a molecular weight of 275.32 g/mol. Its IUPAC name is N-[2-[7-(2-fluoroethoxy)naphthalen-1-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[7-(2-fluoroethoxy)naphthalen-1-yl]ethyl]acetamide
PubChem CID57381767
Molecular FormulaC16H18FNO2
Molecular Weight275.32 g/mol
Exact Mass275.13
IUPAC NameN-[2-[7-(2-fluoroethoxy)naphthalen-1-yl]ethyl]acetamide
SMILESCC(=O)NCCc1cccc2ccc(OCCF)cc12
InChIInChI=1S/C16H18FNO2/c1-12(19)18-9-7-14-4-2-3-13-5-6-15(11-16(13)14)20-10-8-17/h2-6,11H,7-10H2,1H3,(H,18,19)
InChIKeyJRZLHONFZWFZPE-UHFFFAOYSA-N
XLogP2.87
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

CID 82148
CID 82148
CID 9870523
CID 9870523
CID 3071631
CID 3071631
CID 3071634
CID 3071634
CID 3071635
CID 3071635
CID 3071636
CID 3071636
CID 3071652
CID 3071652
CID 9798456
CID 9798456
CID 9806449
CID 9806449
CID 11185529
CID 11185529
CID 53238181
CID 53238181
CID 11779359
CID 11779359

Frequently Asked Questions

What is the IUPAC name of N-[2-[7-(2-fluoroethoxy)naphthalen-1-yl]ethyl]acetamide?
The IUPAC name of N-[2-[7-(2-fluoroethoxy)naphthalen-1-yl]ethyl]acetamide (CID 57381767) is N-[2-[7-(2-fluoroethoxy)naphthalen-1-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[7-(2-fluoroethoxy)naphthalen-1-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[7-(2-fluoroethoxy)naphthalen-1-yl]ethyl]acetamide is CC(=O)NCCc1cccc2ccc(OCCF)cc12.
What is the InChIKey of N-[2-[7-(2-fluoroethoxy)naphthalen-1-yl]ethyl]acetamide?
The InChIKey is JRZLHONFZWFZPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO2/c1-12(19)18-9-7-14-4-2-3-13-5-6-15(11-16(13)14)20-10-8-17/h2-6,11H,7-10H2,1H3,(H,18,19).
What are the key properties of N-[2-[7-(2-fluoroethoxy)naphthalen-1-yl]ethyl]acetamide?
N-[2-[7-(2-fluoroethoxy)naphthalen-1-yl]ethyl]acetamide has a molecular weight of 275.32 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[7-(2-fluoroethoxy)naphthalen-1-yl]ethyl]acetamide is sourced from PubChem (CID 57381767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).