2-[[1-[(4-bromophenyl)methoxy]-4-fluoronaphthalene-2-carbonyl]amino]-2-methylpropanoic acid

C22H19BrFNO4 — CID 58370287

IUPAC2-[[1-[(4-bromophenyl)methoxy]-4-fluoronaphthalene-2-carbonyl]amino]-2-methylpropanoic acid
SMILESCC(C)(NC(=O)c1cc(F)c2ccccc2c1OCc1ccc(Br)cc1)C(=O)O
InChIInChI=1S/C22H19BrFNO4/c1-22(2,21(27)28)25-20(26)17-11-18(24)15-5-3-4-6-16(15)19(17)29-12-13-7-9-14(23)10-8-13/h3-11H,12H2,1-2H3,(H,25,26)(H,27,28)
InChIKeyNLMDLGKYUZAJMB-UHFFFAOYSA-N
MW460.30 g/mol
LogP4.91
Rot. Bonds6

About 2-[[1-[(4-bromophenyl)methoxy]-4-fluoronaphthalene-2-carbonyl]amino]-2-methylpropanoic acid

2-[[1-[(4-bromophenyl)methoxy]-4-fluoronaphthalene-2-carbonyl]amino]-2-methylpropanoic acid (PubChem CID 58370287) has the molecular formula C22H19BrFNO4 and a molecular weight of 460.30 g/mol. Its IUPAC name is 2-[[1-[(4-bromophenyl)methoxy]-4-fluoronaphthalene-2-carbonyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[[1-[(4-bromophenyl)methoxy]-4-fluoronaphthalene-2-carbonyl]amino]-2-methylpropanoic acid
PubChem CID58370287
Molecular FormulaC22H19BrFNO4
Molecular Weight460.30 g/mol
Exact Mass459.05
IUPAC Name2-[[1-[(4-bromophenyl)methoxy]-4-fluoronaphthalene-2-carbonyl]amino]-2-methylpropanoic acid
SMILESCC(C)(NC(=O)c1cc(F)c2ccccc2c1OCc1ccc(Br)cc1)C(=O)O
InChIInChI=1S/C22H19BrFNO4/c1-22(2,21(27)28)25-20(26)17-11-18(24)15-5-3-4-6-16(15)19(17)29-12-13-7-9-14(23)10-8-13/h3-11H,12H2,1-2H3,(H,25,26)(H,27,28)
InChIKeyNLMDLGKYUZAJMB-UHFFFAOYSA-N
XLogP4.91
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.30
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[1-[(4-bromophenyl)methoxy]-4-fluoronaphthalene-2-carbonyl]amino]-2-methylpropanoic 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-chloro-2-fluorophenyl)methoxy]-4-fluoronaphthalene-2-carbonyl]amino]-2-methylpropanoic acid
CID 58370252
2-[[4-fluoro-1-(quinolin-2-ylmethoxy)naphthalene-2-carbonyl]amino]-2-methylpropanoic acid
CID 11546509
2-[[4-chloro-1-[[4-(trifluoromethyl)phenyl]methoxy]naphthalene-2-carbonyl]amino]-2-methylpropanoic acid
CID 11648395
2-[[4-chloro-1-[[4-(trifluoromethylsulfanyl)phenyl]methoxy]naphthalene-2-carbonyl]amino]-2-methylpropanoic acid
CID 23132876
3-[[4-fluoro-1-[[4-(3,3,3-trifluoropropyl)phenyl]methoxy]naphthalene-2-carbonyl]amino]-2,2-dimethylpropanoic acid
CID 162552188
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
N-cyclobutyl-4-fluoro-1-[[4-(trifluoromethyl)phenyl]methoxy]naphthalene-2-carboxamide
CID 66701260
2-[[1-[3-(4-chlorophenyl)propoxy]naphthalene-2-carbonyl]amino]-2-methylpropanoic acid
CID 24769440
2-[[1-[[2,3-difluoro-4-(trifluoromethyl)phenyl]methoxy]naphthalene-2-carbonyl]amino]-2-methylpropanoic acid
CID 23132855
2-[[1-[2-(3-fluorophenoxy)ethoxy]naphthalene-2-carbonyl]amino]-2-methylpropanoic acid
CID 24769729

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[(4-bromophenyl)methoxy]-4-fluoronaphthalene-2-carbonyl]amino]-2-methylpropanoic acid?
The IUPAC name of 2-[[1-[(4-bromophenyl)methoxy]-4-fluoronaphthalene-2-carbonyl]amino]-2-methylpropanoic acid (CID 58370287) is 2-[[1-[(4-bromophenyl)methoxy]-4-fluoronaphthalene-2-carbonyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[[1-[(4-bromophenyl)methoxy]-4-fluoronaphthalene-2-carbonyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[[1-[(4-bromophenyl)methoxy]-4-fluoronaphthalene-2-carbonyl]amino]-2-methylpropanoic acid is CC(C)(NC(=O)c1cc(F)c2ccccc2c1OCc1ccc(Br)cc1)C(=O)O.
What is the InChIKey of 2-[[1-[(4-bromophenyl)methoxy]-4-fluoronaphthalene-2-carbonyl]amino]-2-methylpropanoic acid?
The InChIKey is NLMDLGKYUZAJMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19BrFNO4/c1-22(2,21(27)28)25-20(26)17-11-18(24)15-5-3-4-6-16(15)19(17)29-12-13-7-9-14(23)10-8-13/h3-11H,12H2,1-2H3,(H,25,26)(H,27,28).
What are the key properties of 2-[[1-[(4-bromophenyl)methoxy]-4-fluoronaphthalene-2-carbonyl]amino]-2-methylpropanoic acid?
2-[[1-[(4-bromophenyl)methoxy]-4-fluoronaphthalene-2-carbonyl]amino]-2-methylpropanoic acid has a molecular weight of 460.30 g/mol, XLogP of 4.91, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[(4-bromophenyl)methoxy]-4-fluoronaphthalene-2-carbonyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 58370287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).