2-[methyl(naphthalen-2-ylmethyl)amino]-N-[2-(trifluoromethyl)phenyl]propanamide

C22H21F3N2O — CID 24681595

IUPAC2-[methyl(naphthalen-2-ylmethyl)amino]-N-[2-(trifluoromethyl)phenyl]propanamide
SMILESCC(C(=O)Nc1ccccc1C(F)(F)F)N(C)Cc1ccc2ccccc2c1
InChIInChI=1S/C22H21F3N2O/c1-15(21(28)26-20-10-6-5-9-19(20)22(23,24)25)27(2)14-16-11-12-17-7-3-4-8-18(17)13-16/h3-13,15H,14H2,1-2H3,(H,26,28)
InChIKeyYUNVGXNDCXPWRN-UHFFFAOYSA-N
MW386.42 g/mol
LogP5.32
Rot. Bonds5

About 2-[methyl(naphthalen-2-ylmethyl)amino]-N-[2-(trifluoromethyl)phenyl]propanamide

2-[methyl(naphthalen-2-ylmethyl)amino]-N-[2-(trifluoromethyl)phenyl]propanamide (PubChem CID 24681595) has the molecular formula C22H21F3N2O and a molecular weight of 386.42 g/mol. Its IUPAC name is 2-[methyl(naphthalen-2-ylmethyl)amino]-N-[2-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name2-[methyl(naphthalen-2-ylmethyl)amino]-N-[2-(trifluoromethyl)phenyl]propanamide
PubChem CID24681595
Molecular FormulaC22H21F3N2O
Molecular Weight386.42 g/mol
Exact Mass386.16
IUPAC Name2-[methyl(naphthalen-2-ylmethyl)amino]-N-[2-(trifluoromethyl)phenyl]propanamide
SMILESCC(C(=O)Nc1ccccc1C(F)(F)F)N(C)Cc1ccc2ccccc2c1
InChIInChI=1S/C22H21F3N2O/c1-15(21(28)26-20-10-6-5-9-19(20)22(23,24)25)27(2)14-16-11-12-17-7-3-4-8-18(17)13-16/h3-13,15H,14H2,1-2H3,(H,26,28)
InChIKeyYUNVGXNDCXPWRN-UHFFFAOYSA-N
XLogP5.32
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.42
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-(2-methoxyphenyl)propanamide
CID 9054255
(2R)-N-(2-fluorophenyl)-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]propanamide
CID 51932634
2-[benzyl(methyl)amino]-N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide
CID 42919555
2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 8924997
methyl-(naphthalen-2-ylmethyl)-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium
CID 9261664
N-(1,1-dioxothiolan-3-yl)-2-[methyl(naphthalen-2-ylmethyl)amino]propanamide
CID 17468421
(2S)-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[methyl(naphthalen-2-ylmethyl)amino]propanamide
CID 51725116
N-(2-methoxyphenyl)-2-[methyl-[[4-(trifluoromethoxy)phenyl]methyl]amino]propanamide
CID 46573624
(2S)-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-(2-methoxyphenyl)propanamide
CID 9432375
2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(2-propan-2-ylphenyl)propanamide
CID 51244258
N-(2-methoxyphenyl)-2-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]propanamide
CID 17437130
(2R)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]-N-naphthalen-1-ylpropanamide
CID 8798163

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(naphthalen-2-ylmethyl)amino]-N-[2-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 2-[methyl(naphthalen-2-ylmethyl)amino]-N-[2-(trifluoromethyl)phenyl]propanamide (CID 24681595) is 2-[methyl(naphthalen-2-ylmethyl)amino]-N-[2-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 2-[methyl(naphthalen-2-ylmethyl)amino]-N-[2-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 2-[methyl(naphthalen-2-ylmethyl)amino]-N-[2-(trifluoromethyl)phenyl]propanamide is CC(C(=O)Nc1ccccc1C(F)(F)F)N(C)Cc1ccc2ccccc2c1.
What is the InChIKey of 2-[methyl(naphthalen-2-ylmethyl)amino]-N-[2-(trifluoromethyl)phenyl]propanamide?
The InChIKey is YUNVGXNDCXPWRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N2O/c1-15(21(28)26-20-10-6-5-9-19(20)22(23,24)25)27(2)14-16-11-12-17-7-3-4-8-18(17)13-16/h3-13,15H,14H2,1-2H3,(H,26,28).
What are the key properties of 2-[methyl(naphthalen-2-ylmethyl)amino]-N-[2-(trifluoromethyl)phenyl]propanamide?
2-[methyl(naphthalen-2-ylmethyl)amino]-N-[2-(trifluoromethyl)phenyl]propanamide has a molecular weight of 386.42 g/mol, XLogP of 5.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(naphthalen-2-ylmethyl)amino]-N-[2-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 24681595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).