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

C16H16F3NO2 — CID 57381768

IUPACN-[2-[7-(2,2,2-trifluoroethoxy)naphthalen-1-yl]ethyl]acetamide
SMILESCC(=O)NCCc1cccc2ccc(OCC(F)(F)F)cc12
InChIInChI=1S/C16H16F3NO2/c1-11(21)20-8-7-13-4-2-3-12-5-6-14(9-15(12)13)22-10-16(17,18)19/h2-6,9H,7-8,10H2,1H3,(H,20,21)
InChIKeyNRUKMVXDUFPJQY-UHFFFAOYSA-N
MW311.30 g/mol
LogP3.46
Rot. Bonds5

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

N-[2-[7-(2,2,2-trifluoroethoxy)naphthalen-1-yl]ethyl]acetamide (PubChem CID 57381768) has the molecular formula C16H16F3NO2 and a molecular weight of 311.30 g/mol. Its IUPAC name is N-[2-[7-(2,2,2-trifluoroethoxy)naphthalen-1-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[7-(2,2,2-trifluoroethoxy)naphthalen-1-yl]ethyl]acetamide
PubChem CID57381768
Molecular FormulaC16H16F3NO2
Molecular Weight311.30 g/mol
Exact Mass311.11
IUPAC NameN-[2-[7-(2,2,2-trifluoroethoxy)naphthalen-1-yl]ethyl]acetamide
SMILESCC(=O)NCCc1cccc2ccc(OCC(F)(F)F)cc12
InChIInChI=1S/C16H16F3NO2/c1-11(21)20-8-7-13-4-2-3-12-5-6-14(9-15(12)13)22-10-16(17,18)19/h2-6,9H,7-8,10H2,1H3,(H,20,21)
InChIKeyNRUKMVXDUFPJQY-UHFFFAOYSA-N
XLogP3.46
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.30
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Agomelatine
CID 82148
N-[2-[7-[3-[8-(2-acetamidoethyl)naphthalen-2-yl]oxypropoxy]naphthalen-1-yl]ethyl]acetamide
CID 9870523
Propanamide, N-(2-(7-methoxy-1-naphthalenyl)ethyl)-
CID 3071631
Butanamide, 4-chloro-N-(2-(7-methoxy-1-naphthalenyl)ethyl)-
CID 3071634
2-Pyrrolidinone, 1-(2-(7-methoxy-1-naphthalenyl)ethyl)-
CID 3071635
Acetamide, 2-bromo-N-(2-(7-methoxy-1-naphthalenyl)ethyl)-
CID 3071636
Butanamide, N-(2-(7-methoxy-1-naphthalenyl)ethyl)-
CID 3071652
(Hydroxymethylphenyl)agomelatine
CID 9798456
N-[2-[7-[4-[8-(2-acetamidoethyl)naphthalen-2-yl]oxybutoxy]naphthalen-1-yl]ethyl]acetamide
CID 9806449
N-[(6-Methoxy-9-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)methyl]acetamide
CID 11185529
Cifea
CID 53238181
N-[2-(2-Methoxy-1-naphthyl)ethyl]trifluoroacetamide
CID 11779359

Frequently Asked Questions

What is the IUPAC name of N-[2-[7-(2,2,2-trifluoroethoxy)naphthalen-1-yl]ethyl]acetamide?
The IUPAC name of N-[2-[7-(2,2,2-trifluoroethoxy)naphthalen-1-yl]ethyl]acetamide (CID 57381768) is N-[2-[7-(2,2,2-trifluoroethoxy)naphthalen-1-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[7-(2,2,2-trifluoroethoxy)naphthalen-1-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[7-(2,2,2-trifluoroethoxy)naphthalen-1-yl]ethyl]acetamide is CC(=O)NCCc1cccc2ccc(OCC(F)(F)F)cc12.
What is the InChIKey of N-[2-[7-(2,2,2-trifluoroethoxy)naphthalen-1-yl]ethyl]acetamide?
The InChIKey is NRUKMVXDUFPJQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NO2/c1-11(21)20-8-7-13-4-2-3-12-5-6-14(9-15(12)13)22-10-16(17,18)19/h2-6,9H,7-8,10H2,1H3,(H,20,21).
What are the key properties of N-[2-[7-(2,2,2-trifluoroethoxy)naphthalen-1-yl]ethyl]acetamide?
N-[2-[7-(2,2,2-trifluoroethoxy)naphthalen-1-yl]ethyl]acetamide has a molecular weight of 311.30 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[7-(2,2,2-trifluoroethoxy)naphthalen-1-yl]ethyl]acetamide is sourced from PubChem (CID 57381768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).