3-[[4-fluoro-1-[[4-(3,3,3-trifluoropropyl)phenyl]methoxy]naphthalene-2-carbonyl]amino]-2,2-dimethylpropanoic acid

C26H25F4NO4 — CID 162552188

IUPAC3-[[4-fluoro-1-[[4-(3,3,3-trifluoropropyl)phenyl]methoxy]naphthalene-2-carbonyl]amino]-2,2-dimethylpropanoic acid
SMILESCC(C)(CNC(=O)c1cc(F)c2ccccc2c1OCc1ccc(CCC(F)(F)F)cc1)C(=O)O
InChIInChI=1S/C26H25F4NO4/c1-25(2,24(33)34)15-31-23(32)20-13-21(27)18-5-3-4-6-19(18)22(20)35-14-17-9-7-16(8-10-17)11-12-26(28,29)30/h3-10,13H,11-12,14-15H2,1-2H3,(H,31,32)(H,33,34)
InChIKeyJBYCTDKLGXWABG-UHFFFAOYSA-N
MW491.48 g/mol
LogP5.89
Rot. Bonds9

About 3-[[4-fluoro-1-[[4-(3,3,3-trifluoropropyl)phenyl]methoxy]naphthalene-2-carbonyl]amino]-2,2-dimethylpropanoic acid

3-[[4-fluoro-1-[[4-(3,3,3-trifluoropropyl)phenyl]methoxy]naphthalene-2-carbonyl]amino]-2,2-dimethylpropanoic acid (PubChem CID 162552188) has the molecular formula C26H25F4NO4 and a molecular weight of 491.48 g/mol. Its IUPAC name is 3-[[4-fluoro-1-[[4-(3,3,3-trifluoropropyl)phenyl]methoxy]naphthalene-2-carbonyl]amino]-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-[[4-fluoro-1-[[4-(3,3,3-trifluoropropyl)phenyl]methoxy]naphthalene-2-carbonyl]amino]-2,2-dimethylpropanoic acid
PubChem CID162552188
Molecular FormulaC26H25F4NO4
Molecular Weight491.48 g/mol
Exact Mass491.17
IUPAC Name3-[[4-fluoro-1-[[4-(3,3,3-trifluoropropyl)phenyl]methoxy]naphthalene-2-carbonyl]amino]-2,2-dimethylpropanoic acid
SMILESCC(C)(CNC(=O)c1cc(F)c2ccccc2c1OCc1ccc(CCC(F)(F)F)cc1)C(=O)O
InChIInChI=1S/C26H25F4NO4/c1-25(2,24(33)34)15-31-23(32)20-13-21(27)18-5-3-4-6-19(18)22(20)35-14-17-9-7-16(8-10-17)11-12-26(28,29)30/h3-10,13H,11-12,14-15H2,1-2H3,(H,31,32)(H,33,34)
InChIKeyJBYCTDKLGXWABG-UHFFFAOYSA-N
XLogP5.89
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.48
LogP ≤ 55.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[[4-fluoro-1-[[4-(3,3,3-trifluoropropyl)phenyl]methoxy]naphthalene-2-carbonyl]amino]-2,2-dimethylpropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[1-[(4-bromophenyl)methoxy]-4-fluoronaphthalene-2-carbonyl]amino]-2,2-dimethylpropanoic acid
CID 143253267
2-[[1-[(4-bromophenyl)methoxy]-4-fluoronaphthalene-2-carbonyl]amino]-2-methylpropanoic acid
CID 58370287
N-cyclobutyl-4-fluoro-1-[[4-(trifluoromethyl)phenyl]methoxy]naphthalene-2-carboxamide
CID 66701260
2-[[1-[(4-chloro-2-fluorophenyl)methoxy]-4-fluoronaphthalene-2-carbonyl]amino]-2-methylpropanoic acid
CID 58370252
2-[[4-chloro-1-[[4-(trifluoromethyl)phenyl]methoxy]naphthalene-2-carbonyl]amino]-2-methylpropanoic acid
CID 11648395
ethyl 5-fluoro-2-phenylmethoxy-3-(2,2,2-trifluoroethylcarbamoyl)benzoate
CID 15057648
2-[[4-fluoro-1-(quinolin-2-ylmethoxy)naphthalene-2-carbonyl]amino]-2-methylpropanoic acid
CID 11546509
2-[[4-chloro-1-[[4-(trifluoromethylsulfanyl)phenyl]methoxy]naphthalene-2-carbonyl]amino]-2-methylpropanoic acid
CID 23132876
2-ethyl-2-[[[4-(3,3,3-trifluoropropyl)benzoyl]amino]methyl]butanoic acid
CID 120533411
2,2-dimethyl-3-[[2-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid
CID 120527844
2-methyl-2-[[4-(3,3,3-trifluoropropyl)benzoyl]amino]propanoic acid
CID 120515987
2,2-dimethyl-4-[4-[3-[4-oxo-3-(2,2,2-trifluoroethylcarbamoyl)-1,8-naphthyridin-1-yl]phenyl]phenyl]butanoic acid
CID 10098715

Frequently Asked Questions

What is the IUPAC name of 3-[[4-fluoro-1-[[4-(3,3,3-trifluoropropyl)phenyl]methoxy]naphthalene-2-carbonyl]amino]-2,2-dimethylpropanoic acid?
The IUPAC name of 3-[[4-fluoro-1-[[4-(3,3,3-trifluoropropyl)phenyl]methoxy]naphthalene-2-carbonyl]amino]-2,2-dimethylpropanoic acid (CID 162552188) is 3-[[4-fluoro-1-[[4-(3,3,3-trifluoropropyl)phenyl]methoxy]naphthalene-2-carbonyl]amino]-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-[[4-fluoro-1-[[4-(3,3,3-trifluoropropyl)phenyl]methoxy]naphthalene-2-carbonyl]amino]-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-[[4-fluoro-1-[[4-(3,3,3-trifluoropropyl)phenyl]methoxy]naphthalene-2-carbonyl]amino]-2,2-dimethylpropanoic acid is CC(C)(CNC(=O)c1cc(F)c2ccccc2c1OCc1ccc(CCC(F)(F)F)cc1)C(=O)O.
What is the InChIKey of 3-[[4-fluoro-1-[[4-(3,3,3-trifluoropropyl)phenyl]methoxy]naphthalene-2-carbonyl]amino]-2,2-dimethylpropanoic acid?
The InChIKey is JBYCTDKLGXWABG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F4NO4/c1-25(2,24(33)34)15-31-23(32)20-13-21(27)18-5-3-4-6-19(18)22(20)35-14-17-9-7-16(8-10-17)11-12-26(28,29)30/h3-10,13H,11-12,14-15H2,1-2H3,(H,31,32)(H,33,34).
What are the key properties of 3-[[4-fluoro-1-[[4-(3,3,3-trifluoropropyl)phenyl]methoxy]naphthalene-2-carbonyl]amino]-2,2-dimethylpropanoic acid?
3-[[4-fluoro-1-[[4-(3,3,3-trifluoropropyl)phenyl]methoxy]naphthalene-2-carbonyl]amino]-2,2-dimethylpropanoic acid has a molecular weight of 491.48 g/mol, XLogP of 5.89, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-fluoro-1-[[4-(3,3,3-trifluoropropyl)phenyl]methoxy]naphthalene-2-carbonyl]amino]-2,2-dimethylpropanoic acid is sourced from PubChem (CID 162552188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).