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

C16H18FNO2 — CID 57381553

IUPACN-[2-[3-(fluoromethyl)-7-methoxynaphthalen-1-yl]ethyl]acetamide
SMILESCOc1ccc2cc(CF)cc(CCNC(C)=O)c2c1
InChIInChI=1S/C16H18FNO2/c1-11(19)18-6-5-14-8-12(10-17)7-13-3-4-15(20-2)9-16(13)14/h3-4,7-9H,5-6,10H2,1-2H3,(H,18,19)
InChIKeyBKRSGUOHAVKIQX-UHFFFAOYSA-N
MW275.32 g/mol
LogP3.00
Rot. Bonds5

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

N-[2-[3-(fluoromethyl)-7-methoxynaphthalen-1-yl]ethyl]acetamide (PubChem CID 57381553) has the molecular formula C16H18FNO2 and a molecular weight of 275.32 g/mol. Its IUPAC name is N-[2-[3-(fluoromethyl)-7-methoxynaphthalen-1-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[3-(fluoromethyl)-7-methoxynaphthalen-1-yl]ethyl]acetamide
PubChem CID57381553
Molecular FormulaC16H18FNO2
Molecular Weight275.32 g/mol
Exact Mass275.13
IUPAC NameN-[2-[3-(fluoromethyl)-7-methoxynaphthalen-1-yl]ethyl]acetamide
SMILESCOc1ccc2cc(CF)cc(CCNC(C)=O)c2c1
InChIInChI=1S/C16H18FNO2/c1-11(19)18-6-5-14-8-12(10-17)7-13-3-4-15(20-2)9-16(13)14/h3-4,7-9H,5-6,10H2,1-2H3,(H,18,19)
InChIKeyBKRSGUOHAVKIQX-UHFFFAOYSA-N
XLogP3.00
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(fluoromethyl)-7-methoxynaphthalen-1-yl]ethyl]acetamide?
The IUPAC name of N-[2-[3-(fluoromethyl)-7-methoxynaphthalen-1-yl]ethyl]acetamide (CID 57381553) is N-[2-[3-(fluoromethyl)-7-methoxynaphthalen-1-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[3-(fluoromethyl)-7-methoxynaphthalen-1-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[3-(fluoromethyl)-7-methoxynaphthalen-1-yl]ethyl]acetamide is COc1ccc2cc(CF)cc(CCNC(C)=O)c2c1.
What is the InChIKey of N-[2-[3-(fluoromethyl)-7-methoxynaphthalen-1-yl]ethyl]acetamide?
The InChIKey is BKRSGUOHAVKIQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO2/c1-11(19)18-6-5-14-8-12(10-17)7-13-3-4-15(20-2)9-16(13)14/h3-4,7-9H,5-6,10H2,1-2H3,(H,18,19).
What are the key properties of N-[2-[3-(fluoromethyl)-7-methoxynaphthalen-1-yl]ethyl]acetamide?
N-[2-[3-(fluoromethyl)-7-methoxynaphthalen-1-yl]ethyl]acetamide has a molecular weight of 275.32 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(fluoromethyl)-7-methoxynaphthalen-1-yl]ethyl]acetamide is sourced from PubChem (CID 57381553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).