4,5-difluoro-2-[(2-methoxyacetyl)amino]benzoic acid

C10H9F2NO4 — CID 62865537

IUPAC4,5-difluoro-2-[(2-methoxyacetyl)amino]benzoic acid
SMILESCOCC(=O)Nc1cc(F)c(F)cc1C(=O)O
InChIInChI=1S/C10H9F2NO4/c1-17-4-9(14)13-8-3-7(12)6(11)2-5(8)10(15)16/h2-3H,4H2,1H3,(H,13,14)(H,15,16)
InChIKeyMZUHCWRYSKBERF-UHFFFAOYSA-N
MW245.18 g/mol
LogP1.25
Rot. Bonds4

About 4,5-difluoro-2-[(2-methoxyacetyl)amino]benzoic acid

4,5-difluoro-2-[(2-methoxyacetyl)amino]benzoic acid (PubChem CID 62865537) has the molecular formula C10H9F2NO4 and a molecular weight of 245.18 g/mol. Its IUPAC name is 4,5-difluoro-2-[(2-methoxyacetyl)amino]benzoic acid.

Molecular Properties

Compound Name4,5-difluoro-2-[(2-methoxyacetyl)amino]benzoic acid
PubChem CID62865537
Molecular FormulaC10H9F2NO4
Molecular Weight245.18 g/mol
Exact Mass245.05
IUPAC Name4,5-difluoro-2-[(2-methoxyacetyl)amino]benzoic acid
SMILESCOCC(=O)Nc1cc(F)c(F)cc1C(=O)O
InChIInChI=1S/C10H9F2NO4/c1-17-4-9(14)13-8-3-7(12)6(11)2-5(8)10(15)16/h2-3H,4H2,1H3,(H,13,14)(H,15,16)
InChIKeyMZUHCWRYSKBERF-UHFFFAOYSA-N
XLogP1.25
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.18
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4,5-difluoro-2-[(2-methylsulfanylacetyl)amino]benzoic acid
CID 62865365
5-hydroxy-2-[(2-methoxyacetyl)amino]benzoic acid
CID 61405856
2-[(3-amino-3-methylbutanoyl)amino]-4,5-difluorobenzoic acid
CID 64679134
4,5-difluoro-2-(3-methoxypropylcarbamoylamino)benzoic acid
CID 62866805
2-[[2-(cyclopropylmethylamino)acetyl]amino]-4,5-difluorobenzoic acid
CID 62866271
4-fluoro-2-[[2-(2-methoxyethoxy)acetyl]amino]benzoic acid
CID 43358600
4,5-difluoro-2-[4-(propan-2-ylamino)butanoylamino]benzoic acid
CID 62866446
2-(2,2-dimethylbutanoylamino)-4,5-difluorobenzoic acid
CID 62867491
2-[[(E)-1,4-dimethoxy-1,4-dioxobut-2-en-2-yl]amino]-4,5-difluorobenzoic acid
CID 168566055
4,5-difluoro-2-(3-methylpentan-2-ylcarbamoylamino)benzoic acid
CID 62866986
2-(2-aminobutanoylamino)-4,5-difluorobenzoic acid
CID 55129479
methyl 4,5-dimethoxy-2-[(2-methoxyacetyl)amino]benzoate
CID 2808926

Frequently Asked Questions

What is the IUPAC name of 4,5-difluoro-2-[(2-methoxyacetyl)amino]benzoic acid?
The IUPAC name of 4,5-difluoro-2-[(2-methoxyacetyl)amino]benzoic acid (CID 62865537) is 4,5-difluoro-2-[(2-methoxyacetyl)amino]benzoic acid.
What is the SMILES notation for 4,5-difluoro-2-[(2-methoxyacetyl)amino]benzoic acid?
The canonical SMILES for 4,5-difluoro-2-[(2-methoxyacetyl)amino]benzoic acid is COCC(=O)Nc1cc(F)c(F)cc1C(=O)O.
What is the InChIKey of 4,5-difluoro-2-[(2-methoxyacetyl)amino]benzoic acid?
The InChIKey is MZUHCWRYSKBERF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2NO4/c1-17-4-9(14)13-8-3-7(12)6(11)2-5(8)10(15)16/h2-3H,4H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 4,5-difluoro-2-[(2-methoxyacetyl)amino]benzoic acid?
4,5-difluoro-2-[(2-methoxyacetyl)amino]benzoic acid has a molecular weight of 245.18 g/mol, XLogP of 1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-difluoro-2-[(2-methoxyacetyl)amino]benzoic acid is sourced from PubChem (CID 62865537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).