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

C22H18ClF2NO4 — CID 58370252

IUPAC2-[[1-[(4-chloro-2-fluorophenyl)methoxy]-4-fluoronaphthalene-2-carbonyl]amino]-2-methylpropanoic acid
SMILESCC(C)(NC(=O)c1cc(F)c2ccccc2c1OCc1ccc(Cl)cc1F)C(=O)O
InChIInChI=1S/C22H18ClF2NO4/c1-22(2,21(28)29)26-20(27)16-10-18(25)14-5-3-4-6-15(14)19(16)30-11-12-7-8-13(23)9-17(12)24/h3-10H,11H2,1-2H3,(H,26,27)(H,28,29)
InChIKeyOUTFUZGATXQRRG-UHFFFAOYSA-N
MW433.84 g/mol
LogP4.94
Rot. Bonds6

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

2-[[1-[(4-chloro-2-fluorophenyl)methoxy]-4-fluoronaphthalene-2-carbonyl]amino]-2-methylpropanoic acid (PubChem CID 58370252) has the molecular formula C22H18ClF2NO4 and a molecular weight of 433.84 g/mol. Its IUPAC name is 2-[[1-[(4-chloro-2-fluorophenyl)methoxy]-4-fluoronaphthalene-2-carbonyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[[1-[(4-chloro-2-fluorophenyl)methoxy]-4-fluoronaphthalene-2-carbonyl]amino]-2-methylpropanoic acid
PubChem CID58370252
Molecular FormulaC22H18ClF2NO4
Molecular Weight433.84 g/mol
Exact Mass433.09
IUPAC Name2-[[1-[(4-chloro-2-fluorophenyl)methoxy]-4-fluoronaphthalene-2-carbonyl]amino]-2-methylpropanoic acid
SMILESCC(C)(NC(=O)c1cc(F)c2ccccc2c1OCc1ccc(Cl)cc1F)C(=O)O
InChIInChI=1S/C22H18ClF2NO4/c1-22(2,21(28)29)26-20(27)16-10-18(25)14-5-3-4-6-15(14)19(16)30-11-12-7-8-13(23)9-17(12)24/h3-10H,11H2,1-2H3,(H,26,27)(H,28,29)
InChIKeyOUTFUZGATXQRRG-UHFFFAOYSA-N
XLogP4.94
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.84
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[1-[(4-chloro-2-fluorophenyl)methoxy]-4-fluoronaphthalene-2-carbonyl]amino]-2-methylpropanoic acid with MolForge

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Related Compounds

2-[[1-[(4-bromophenyl)methoxy]-4-fluoronaphthalene-2-carbonyl]amino]-2-methylpropanoic acid
CID 58370287
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
1-[[4-chloro-1-[(4-chloro-2-fluorophenyl)methoxy]naphthalene-2-carbonyl]amino]cyclobutane-1-carboxylic acid
CID 58370323
2-[[1-[[2,3-difluoro-4-(trifluoromethyl)phenyl]methoxy]naphthalene-2-carbonyl]amino]-2-methylpropanoic acid
CID 23132855
3-[[1-[(4-bromophenyl)methoxy]-4-fluoronaphthalene-2-carbonyl]amino]-2,2-dimethylpropanoic acid
CID 143253267
2-[(4-chloro-2-fluorophenyl)methylcarbamoylamino]-2-methylpropanoic acid
CID 114848462
3-[[4-fluoro-1-[[4-(3,3,3-trifluoropropyl)phenyl]methoxy]naphthalene-2-carbonyl]amino]-2,2-dimethylpropanoic acid
CID 162552188
2-[[1-[3-(4-chlorophenyl)propoxy]naphthalene-2-carbonyl]amino]-2-methylpropanoic acid
CID 24769440
2-[[1-[2-(2-chloro-4-fluorophenoxy)ethoxy]naphthalene-2-carbonyl]amino]-2-methylpropanoic acid
CID 24769727
N-benzyl-2-(4-chloro-2-fluorophenyl)acetamide
CID 56920126

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[(4-chloro-2-fluorophenyl)methoxy]-4-fluoronaphthalene-2-carbonyl]amino]-2-methylpropanoic acid?
The IUPAC name of 2-[[1-[(4-chloro-2-fluorophenyl)methoxy]-4-fluoronaphthalene-2-carbonyl]amino]-2-methylpropanoic acid (CID 58370252) is 2-[[1-[(4-chloro-2-fluorophenyl)methoxy]-4-fluoronaphthalene-2-carbonyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[[1-[(4-chloro-2-fluorophenyl)methoxy]-4-fluoronaphthalene-2-carbonyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[[1-[(4-chloro-2-fluorophenyl)methoxy]-4-fluoronaphthalene-2-carbonyl]amino]-2-methylpropanoic acid is CC(C)(NC(=O)c1cc(F)c2ccccc2c1OCc1ccc(Cl)cc1F)C(=O)O.
What is the InChIKey of 2-[[1-[(4-chloro-2-fluorophenyl)methoxy]-4-fluoronaphthalene-2-carbonyl]amino]-2-methylpropanoic acid?
The InChIKey is OUTFUZGATXQRRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClF2NO4/c1-22(2,21(28)29)26-20(27)16-10-18(25)14-5-3-4-6-15(14)19(16)30-11-12-7-8-13(23)9-17(12)24/h3-10H,11H2,1-2H3,(H,26,27)(H,28,29).
What are the key properties of 2-[[1-[(4-chloro-2-fluorophenyl)methoxy]-4-fluoronaphthalene-2-carbonyl]amino]-2-methylpropanoic acid?
2-[[1-[(4-chloro-2-fluorophenyl)methoxy]-4-fluoronaphthalene-2-carbonyl]amino]-2-methylpropanoic acid has a molecular weight of 433.84 g/mol, XLogP of 4.94, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[(4-chloro-2-fluorophenyl)methoxy]-4-fluoronaphthalene-2-carbonyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 58370252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).