2-[ethyl-(2-fluoro-4-methoxybenzoyl)amino]-2-methylpropanoic acid

C14H18FNO4 — CID 102881941

IUPAC2-[ethyl-(2-fluoro-4-methoxybenzoyl)amino]-2-methylpropanoic acid
SMILESCCN(C(=O)c1ccc(OC)cc1F)C(C)(C)C(=O)O
InChIInChI=1S/C14H18FNO4/c1-5-16(14(2,3)13(18)19)12(17)10-7-6-9(20-4)8-11(10)15/h6-8H,5H2,1-4H3,(H,18,19)
InChIKeyNJPVGAATIUFVAT-UHFFFAOYSA-N
MW283.30 g/mol
LogP2.16
Rot. Bonds5

About 2-[ethyl-(2-fluoro-4-methoxybenzoyl)amino]-2-methylpropanoic acid

2-[ethyl-(2-fluoro-4-methoxybenzoyl)amino]-2-methylpropanoic acid (PubChem CID 102881941) has the molecular formula C14H18FNO4 and a molecular weight of 283.30 g/mol. Its IUPAC name is 2-[ethyl-(2-fluoro-4-methoxybenzoyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[ethyl-(2-fluoro-4-methoxybenzoyl)amino]-2-methylpropanoic acid
PubChem CID102881941
Molecular FormulaC14H18FNO4
Molecular Weight283.30 g/mol
Exact Mass283.12
IUPAC Name2-[ethyl-(2-fluoro-4-methoxybenzoyl)amino]-2-methylpropanoic acid
SMILESCCN(C(=O)c1ccc(OC)cc1F)C(C)(C)C(=O)O
InChIInChI=1S/C14H18FNO4/c1-5-16(14(2,3)13(18)19)12(17)10-7-6-9(20-4)8-11(10)15/h6-8H,5H2,1-4H3,(H,18,19)
InChIKeyNJPVGAATIUFVAT-UHFFFAOYSA-N
XLogP2.16
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-(2-fluoro-4-methoxybenzoyl)amino]-2-methylpropanoic acid?
The IUPAC name of 2-[ethyl-(2-fluoro-4-methoxybenzoyl)amino]-2-methylpropanoic acid (CID 102881941) is 2-[ethyl-(2-fluoro-4-methoxybenzoyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[ethyl-(2-fluoro-4-methoxybenzoyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[ethyl-(2-fluoro-4-methoxybenzoyl)amino]-2-methylpropanoic acid is CCN(C(=O)c1ccc(OC)cc1F)C(C)(C)C(=O)O.
What is the InChIKey of 2-[ethyl-(2-fluoro-4-methoxybenzoyl)amino]-2-methylpropanoic acid?
The InChIKey is NJPVGAATIUFVAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO4/c1-5-16(14(2,3)13(18)19)12(17)10-7-6-9(20-4)8-11(10)15/h6-8H,5H2,1-4H3,(H,18,19).
What are the key properties of 2-[ethyl-(2-fluoro-4-methoxybenzoyl)amino]-2-methylpropanoic acid?
2-[ethyl-(2-fluoro-4-methoxybenzoyl)amino]-2-methylpropanoic acid has a molecular weight of 283.30 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-(2-fluoro-4-methoxybenzoyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 102881941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).