2-[[1-[[2,3-difluoro-4-(trifluoromethyl)phenyl]methoxy]naphthalene-2-carbonyl]amino]-2-methylbutanoic acid

C24H20F5NO4 — CID 23132883

IUPAC2-[[1-[[2,3-difluoro-4-(trifluoromethyl)phenyl]methoxy]naphthalene-2-carbonyl]amino]-2-methylbutanoic acid
SMILESCCC(C)(NC(=O)c1ccc2ccccc2c1OCc1ccc(C(F)(F)F)c(F)c1F)C(=O)O
InChIInChI=1S/C24H20F5NO4/c1-3-23(2,22(32)33)30-21(31)16-10-8-13-6-4-5-7-15(13)20(16)34-12-14-9-11-17(24(27,28)29)19(26)18(14)25/h4-11H,3,12H2,1-2H3,(H,30,31)(H,32,33)
InChIKeyWKYHCRHSCPICQY-UHFFFAOYSA-N
MW481.42 g/mol
LogP5.70
Rot. Bonds7

About 2-[[1-[[2,3-difluoro-4-(trifluoromethyl)phenyl]methoxy]naphthalene-2-carbonyl]amino]-2-methylbutanoic acid

2-[[1-[[2,3-difluoro-4-(trifluoromethyl)phenyl]methoxy]naphthalene-2-carbonyl]amino]-2-methylbutanoic acid (PubChem CID 23132883) has the molecular formula C24H20F5NO4 and a molecular weight of 481.42 g/mol. Its IUPAC name is 2-[[1-[[2,3-difluoro-4-(trifluoromethyl)phenyl]methoxy]naphthalene-2-carbonyl]amino]-2-methylbutanoic acid.

Molecular Properties

Compound Name2-[[1-[[2,3-difluoro-4-(trifluoromethyl)phenyl]methoxy]naphthalene-2-carbonyl]amino]-2-methylbutanoic acid
PubChem CID23132883
Molecular FormulaC24H20F5NO4
Molecular Weight481.42 g/mol
Exact Mass481.13
IUPAC Name2-[[1-[[2,3-difluoro-4-(trifluoromethyl)phenyl]methoxy]naphthalene-2-carbonyl]amino]-2-methylbutanoic acid
SMILESCCC(C)(NC(=O)c1ccc2ccccc2c1OCc1ccc(C(F)(F)F)c(F)c1F)C(=O)O
InChIInChI=1S/C24H20F5NO4/c1-3-23(2,22(32)33)30-21(31)16-10-8-13-6-4-5-7-15(13)20(16)34-12-14-9-11-17(24(27,28)29)19(26)18(14)25/h4-11H,3,12H2,1-2H3,(H,30,31)(H,32,33)
InChIKeyWKYHCRHSCPICQY-UHFFFAOYSA-N
XLogP5.70
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.42
LogP ≤ 55.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[1-[[2,3-difluoro-4-(trifluoromethyl)phenyl]methoxy]naphthalene-2-carbonyl]amino]-2-methylbutanoic acid with MolForge

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Related Compounds

2-[[1-[[2,3-difluoro-4-(trifluoromethyl)phenyl]methoxy]naphthalene-2-carbonyl]amino]-2-methylpropanoic acid
CID 23132855
2-methyl-2-[[1-[[5-(trifluoromethyl)-2-pyridinyl]methoxy]naphthalene-2-carbonyl]amino]butanoic acid
CID 58370198
2-methyl-2-(naphthalene-1-carbonylamino)butanoic acid
CID 79792523
2-[(1-bromonaphthalene-2-carbonyl)amino]-2-methylbutanoic acid
CID 174546235
2-[[1-(1-benzothiophen-3-ylmethoxy)naphthalene-2-carbonyl]amino]-2-methylpropanoic acid
CID 11495437
2-methyl-2-[[1-[(4-methylphenyl)methoxy]naphthalene-2-carbonyl]amino]propanoic acid
CID 11675248
2-methyl-2-[[1-[(4-methylsulfanylphenyl)methoxy]naphthalene-2-carbonyl]amino]propanoic acid
CID 23132856
2-[[1-[2-(3-fluorophenoxy)ethoxy]naphthalene-2-carbonyl]amino]-2-methylpropanoic acid
CID 24769729
2-methyl-2-[[1-[(2R)-1-phenoxypropan-2-yl]oxynaphthalene-2-carbonyl]amino]propanoic acid
CID 24769568
2-methyl-2-[[1-(2-naphthalen-2-yloxyethoxy)naphthalene-2-carbonyl]amino]propanoic acid
CID 24768906
2-methyl-2-[[3-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzothiophene-2-carbonyl]amino]butanoic acid
CID 23132819
2-methyl-2-[(2-methylquinoline-8-carbonyl)amino]butanoic acid
CID 120518528

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[[2,3-difluoro-4-(trifluoromethyl)phenyl]methoxy]naphthalene-2-carbonyl]amino]-2-methylbutanoic acid?
The IUPAC name of 2-[[1-[[2,3-difluoro-4-(trifluoromethyl)phenyl]methoxy]naphthalene-2-carbonyl]amino]-2-methylbutanoic acid (CID 23132883) is 2-[[1-[[2,3-difluoro-4-(trifluoromethyl)phenyl]methoxy]naphthalene-2-carbonyl]amino]-2-methylbutanoic acid.
What is the SMILES notation for 2-[[1-[[2,3-difluoro-4-(trifluoromethyl)phenyl]methoxy]naphthalene-2-carbonyl]amino]-2-methylbutanoic acid?
The canonical SMILES for 2-[[1-[[2,3-difluoro-4-(trifluoromethyl)phenyl]methoxy]naphthalene-2-carbonyl]amino]-2-methylbutanoic acid is CCC(C)(NC(=O)c1ccc2ccccc2c1OCc1ccc(C(F)(F)F)c(F)c1F)C(=O)O.
What is the InChIKey of 2-[[1-[[2,3-difluoro-4-(trifluoromethyl)phenyl]methoxy]naphthalene-2-carbonyl]amino]-2-methylbutanoic acid?
The InChIKey is WKYHCRHSCPICQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F5NO4/c1-3-23(2,22(32)33)30-21(31)16-10-8-13-6-4-5-7-15(13)20(16)34-12-14-9-11-17(24(27,28)29)19(26)18(14)25/h4-11H,3,12H2,1-2H3,(H,30,31)(H,32,33).
What are the key properties of 2-[[1-[[2,3-difluoro-4-(trifluoromethyl)phenyl]methoxy]naphthalene-2-carbonyl]amino]-2-methylbutanoic acid?
2-[[1-[[2,3-difluoro-4-(trifluoromethyl)phenyl]methoxy]naphthalene-2-carbonyl]amino]-2-methylbutanoic acid has a molecular weight of 481.42 g/mol, XLogP of 5.70, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[[2,3-difluoro-4-(trifluoromethyl)phenyl]methoxy]naphthalene-2-carbonyl]amino]-2-methylbutanoic acid is sourced from PubChem (CID 23132883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).