2,3-difluoro-4-(morpholin-4-ylamino)benzoic acid

C11H12F2N2O3 — CID 83025782

IUPAC2,3-difluoro-4-(morpholin-4-ylamino)benzoic acid
SMILESO=C(O)c1ccc(NN2CCOCC2)c(F)c1F
InChIInChI=1S/C11H12F2N2O3/c12-9-7(11(16)17)1-2-8(10(9)13)14-15-3-5-18-6-4-15/h1-2,14H,3-6H2,(H,16,17)
InChIKeyVDKDSORSZNMCAS-UHFFFAOYSA-N
MW258.22 g/mol
LogP1.32
Rot. Bonds3

About 2,3-difluoro-4-(morpholin-4-ylamino)benzoic acid

2,3-difluoro-4-(morpholin-4-ylamino)benzoic acid (PubChem CID 83025782) has the molecular formula C11H12F2N2O3 and a molecular weight of 258.22 g/mol. Its IUPAC name is 2,3-difluoro-4-(morpholin-4-ylamino)benzoic acid.

Molecular Properties

Compound Name2,3-difluoro-4-(morpholin-4-ylamino)benzoic acid
PubChem CID83025782
Molecular FormulaC11H12F2N2O3
Molecular Weight258.22 g/mol
Exact Mass258.08
IUPAC Name2,3-difluoro-4-(morpholin-4-ylamino)benzoic acid
SMILESO=C(O)c1ccc(NN2CCOCC2)c(F)c1F
InChIInChI=1S/C11H12F2N2O3/c12-9-7(11(16)17)1-2-8(10(9)13)14-15-3-5-18-6-4-15/h1-2,14H,3-6H2,(H,16,17)
InChIKeyVDKDSORSZNMCAS-UHFFFAOYSA-N
XLogP1.32
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.22
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-2-(morpholin-4-ylamino)benzoic acid
CID 83023674
2,3-difluoro-4-(3-morpholin-4-ylpropylamino)benzoic acid
CID 79834479
3-bromo-4-(morpholin-4-ylamino)benzoic acid
CID 83023916
6-methyl-2-(morpholin-4-ylamino)pyridine-3-carboxylic acid
CID 83024698
2-bromo-3-fluoro-4-(2-morpholin-4-ylethylamino)benzoic acid
CID 107539944
4-(2,2-dimethylhydrazinyl)-2,3-difluorobenzoic acid
CID 83026505
2-(morpholin-4-ylcarbamoylamino)benzoic acid
CID 83020338
2-bromo-3-fluoro-4-(3-morpholin-4-ylpropylamino)benzoic acid
CID 107539960
2,3-difluoro-4-[(3-hydroxyazetidin-3-yl)methylamino]benzoic acid
CID 114189738
4-(dicyclopropylmethylamino)-2,3-difluorobenzoic acid
CID 79837425
2,3-difluoro-4-[[1-(trifluoromethyl)cyclopropyl]amino]benzoic acid
CID 106214821
2,3-difluoro-4-(pyrrolidin-3-ylamino)benzoic acid
CID 79840405

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-4-(morpholin-4-ylamino)benzoic acid?
The IUPAC name of 2,3-difluoro-4-(morpholin-4-ylamino)benzoic acid (CID 83025782) is 2,3-difluoro-4-(morpholin-4-ylamino)benzoic acid.
What is the SMILES notation for 2,3-difluoro-4-(morpholin-4-ylamino)benzoic acid?
The canonical SMILES for 2,3-difluoro-4-(morpholin-4-ylamino)benzoic acid is O=C(O)c1ccc(NN2CCOCC2)c(F)c1F.
What is the InChIKey of 2,3-difluoro-4-(morpholin-4-ylamino)benzoic acid?
The InChIKey is VDKDSORSZNMCAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N2O3/c12-9-7(11(16)17)1-2-8(10(9)13)14-15-3-5-18-6-4-15/h1-2,14H,3-6H2,(H,16,17).
What are the key properties of 2,3-difluoro-4-(morpholin-4-ylamino)benzoic acid?
2,3-difluoro-4-(morpholin-4-ylamino)benzoic acid has a molecular weight of 258.22 g/mol, XLogP of 1.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-4-(morpholin-4-ylamino)benzoic acid is sourced from PubChem (CID 83025782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).