2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide

C22H21F3N2O2 — CID 8924997

IUPAC2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCOc1ccc2cc(CN(C)CC(=O)Nc3ccccc3C(F)(F)F)ccc2c1
InChIInChI=1S/C22H21F3N2O2/c1-27(13-15-7-8-17-12-18(29-2)10-9-16(17)11-15)14-21(28)26-20-6-4-3-5-19(20)22(23,24)25/h3-12H,13-14H2,1-2H3,(H,26,28)
InChIKeyYSTRBSYDRQAOPC-UHFFFAOYSA-N
MW402.42 g/mol
LogP4.94
Rot. Bonds6

About 2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide

2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 8924997) has the molecular formula C22H21F3N2O2 and a molecular weight of 402.42 g/mol. Its IUPAC name is 2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID8924997
Molecular FormulaC22H21F3N2O2
Molecular Weight402.42 g/mol
Exact Mass402.16
IUPAC Name2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCOc1ccc2cc(CN(C)CC(=O)Nc3ccccc3C(F)(F)F)ccc2c1
InChIInChI=1S/C22H21F3N2O2/c1-27(13-15-7-8-17-12-18(29-2)10-9-16(17)11-15)14-21(28)26-20-6-4-3-5-19(20)22(23,24)25/h3-12H,13-14H2,1-2H3,(H,26,28)
InChIKeyYSTRBSYDRQAOPC-UHFFFAOYSA-N
XLogP4.94
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.42
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-methoxyphenyl)methyl-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 4883947
N-(2-fluorophenyl)-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]acetamide
CID 9054040
N-(2,3-dimethylphenyl)-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]acetamide
CID 9053927
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[(4-methoxyphenyl)methyl-methylamino]acetamide
CID 27197689
2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-(4-methoxyphenyl)acetamide
CID 9053961
2-(4-methoxyphenyl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 668862
2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 9168228
N-(2-fluoro-4-methylphenyl)-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]acetamide
CID 9054134
N-[2-(2-fluorophenyl)ethyl]-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]acetamide
CID 8925417
N-(5-chloro-2-methylphenyl)-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]acetamide
CID 9053943
2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-(4-methoxy-2-nitrophenyl)acetamide
CID 9054049
N-(2-chlorophenyl)-2-[(4-methoxyphenyl)methyl-methylamino]acetamide
CID 8761356

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide (CID 8924997) is 2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide is COc1ccc2cc(CN(C)CC(=O)Nc3ccccc3C(F)(F)F)ccc2c1.
What is the InChIKey of 2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is YSTRBSYDRQAOPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N2O2/c1-27(13-15-7-8-17-12-18(29-2)10-9-16(17)11-15)14-21(28)26-20-6-4-3-5-19(20)22(23,24)25/h3-12H,13-14H2,1-2H3,(H,26,28).
What are the key properties of 2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide?
2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 402.42 g/mol, XLogP of 4.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 8924997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).