2-[2-fluoro-4-[(2-methoxy-2-methylpropanoyl)amino]phenyl]acetic acid

C13H16FNO4 — CID 122109787

IUPAC2-[2-fluoro-4-[(2-methoxy-2-methylpropanoyl)amino]phenyl]acetic acid
SMILESCOC(C)(C)C(=O)Nc1ccc(CC(=O)O)c(F)c1
InChIInChI=1S/C13H16FNO4/c1-13(2,19-3)12(18)15-9-5-4-8(6-11(16)17)10(14)7-9/h4-5,7H,6H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyNQVDAQWJVJCRRC-UHFFFAOYSA-N
MW269.27 g/mol
LogP1.82
Rot. Bonds5

About 2-[2-fluoro-4-[(2-methoxy-2-methylpropanoyl)amino]phenyl]acetic acid

2-[2-fluoro-4-[(2-methoxy-2-methylpropanoyl)amino]phenyl]acetic acid (PubChem CID 122109787) has the molecular formula C13H16FNO4 and a molecular weight of 269.27 g/mol. Its IUPAC name is 2-[2-fluoro-4-[(2-methoxy-2-methylpropanoyl)amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-fluoro-4-[(2-methoxy-2-methylpropanoyl)amino]phenyl]acetic acid
PubChem CID122109787
Molecular FormulaC13H16FNO4
Molecular Weight269.27 g/mol
Exact Mass269.11
IUPAC Name2-[2-fluoro-4-[(2-methoxy-2-methylpropanoyl)amino]phenyl]acetic acid
SMILESCOC(C)(C)C(=O)Nc1ccc(CC(=O)O)c(F)c1
InChIInChI=1S/C13H16FNO4/c1-13(2,19-3)12(18)15-9-5-4-8(6-11(16)17)10(14)7-9/h4-5,7H,6H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyNQVDAQWJVJCRRC-UHFFFAOYSA-N
XLogP1.82
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]acetic acid
CID 125456654
2-[4-[(2-methoxy-2-methylpropanoyl)amino]phenyl]acetic acid
CID 113424569
2-[2-fluoro-4-[[3-(2-methoxyphenyl)-2,2-dimethylpropanoyl]amino]phenyl]acetic acid
CID 122109874
2-[4-[(2,2-dimethyl-3-phenylmethoxypropanoyl)amino]-2-fluorophenyl]acetic acid
CID 122109601
2-[2-fluoro-4-[[2-methyl-2-[3-(trifluoromethyl)phenyl]propanoyl]amino]phenyl]acetic acid
CID 122109904
2-[4-(butanoylamino)-2-fluorophenyl]acetic acid
CID 122110137
2-[2-fluoro-4-[(2-methylsulfanylacetyl)amino]phenyl]acetic acid
CID 122110095
2-[4-[(1-ethylcyclopropanecarbonyl)amino]-2-fluorophenyl]acetic acid
CID 122109613
2-[2-fluoro-4-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]phenyl]acetic acid
CID 122110129
2-[4-[(5-tert-butylpyridine-2-carbonyl)amino]-2-fluorophenyl]acetic acid
CID 122109585
2-[2-fluoro-4-(3-propan-2-yloxypropanoylamino)phenyl]acetic acid
CID 122110010
N-(4-amino-3-methylphenyl)-2-methoxy-2-methylpropanamide
CID 103017832

Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-4-[(2-methoxy-2-methylpropanoyl)amino]phenyl]acetic acid?
The IUPAC name of 2-[2-fluoro-4-[(2-methoxy-2-methylpropanoyl)amino]phenyl]acetic acid (CID 122109787) is 2-[2-fluoro-4-[(2-methoxy-2-methylpropanoyl)amino]phenyl]acetic acid.
What is the SMILES notation for 2-[2-fluoro-4-[(2-methoxy-2-methylpropanoyl)amino]phenyl]acetic acid?
The canonical SMILES for 2-[2-fluoro-4-[(2-methoxy-2-methylpropanoyl)amino]phenyl]acetic acid is COC(C)(C)C(=O)Nc1ccc(CC(=O)O)c(F)c1.
What is the InChIKey of 2-[2-fluoro-4-[(2-methoxy-2-methylpropanoyl)amino]phenyl]acetic acid?
The InChIKey is NQVDAQWJVJCRRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO4/c1-13(2,19-3)12(18)15-9-5-4-8(6-11(16)17)10(14)7-9/h4-5,7H,6H2,1-3H3,(H,15,18)(H,16,17).
What are the key properties of 2-[2-fluoro-4-[(2-methoxy-2-methylpropanoyl)amino]phenyl]acetic acid?
2-[2-fluoro-4-[(2-methoxy-2-methylpropanoyl)amino]phenyl]acetic acid has a molecular weight of 269.27 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-4-[(2-methoxy-2-methylpropanoyl)amino]phenyl]acetic acid is sourced from PubChem (CID 122109787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).