2-(morpholine-4-carbonylamino)-5-(trifluoromethyl)benzoic acid

C13H13F3N2O4 — CID 22268773

IUPAC2-(morpholine-4-carbonylamino)-5-(trifluoromethyl)benzoic acid
SMILESO=C(O)c1cc(C(F)(F)F)ccc1NC(=O)N1CCOCC1
InChIInChI=1S/C13H13F3N2O4/c14-13(15,16)8-1-2-10(9(7-8)11(19)20)17-12(21)18-3-5-22-6-4-18/h1-2,7H,3-6H2,(H,17,21)(H,19,20)
InChIKeyDXOOEGINJOFFCP-UHFFFAOYSA-N
MW318.25 g/mol
LogP2.27
Rot. Bonds2

About 2-(morpholine-4-carbonylamino)-5-(trifluoromethyl)benzoic acid

2-(morpholine-4-carbonylamino)-5-(trifluoromethyl)benzoic acid (PubChem CID 22268773) has the molecular formula C13H13F3N2O4 and a molecular weight of 318.25 g/mol. Its IUPAC name is 2-(morpholine-4-carbonylamino)-5-(trifluoromethyl)benzoic acid.

Molecular Properties

Compound Name2-(morpholine-4-carbonylamino)-5-(trifluoromethyl)benzoic acid
PubChem CID22268773
Molecular FormulaC13H13F3N2O4
Molecular Weight318.25 g/mol
Exact Mass318.08
IUPAC Name2-(morpholine-4-carbonylamino)-5-(trifluoromethyl)benzoic acid
SMILESO=C(O)c1cc(C(F)(F)F)ccc1NC(=O)N1CCOCC1
InChIInChI=1S/C13H13F3N2O4/c14-13(15,16)8-1-2-10(9(7-8)11(19)20)17-12(21)18-3-5-22-6-4-18/h1-2,7H,3-6H2,(H,17,21)(H,19,20)
InChIKeyDXOOEGINJOFFCP-UHFFFAOYSA-N
XLogP2.27
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.25
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(azetidine-1-carbonylamino)-5-(trifluoromethyl)benzoic acid
CID 22143302
5-fluoro-2-(1,4-oxazepane-4-carbonylamino)benzoic acid
CID 62967632
2-[[(2R)-oxolane-2-carbonyl]amino]-5-(trifluoromethyl)benzoic acid
CID 104855806
2-(methylcarbamoylamino)-5-(trifluoromethyl)benzoic acid
CID 22268814
2-(furan-3-carbonylamino)-5-(trifluoromethyl)benzoic acid
CID 66269172
2-[(2-aminoacetyl)amino]-5-(trifluoromethyl)benzoic acid
CID 66270672
2-(2-methylpropanoylamino)-5-(trifluoromethyl)benzoic acid
CID 66270088
N-(4-fluoro-2-iodophenyl)morpholine-4-carboxamide
CID 79766971
methyl 5-methyl-2-(morpholine-4-carbonylamino)benzoate
CID 79151802
2-[(2-hydroxy-2-methylpropyl)amino]-5-(trifluoromethyl)benzoic acid
CID 114093515
5-hydroxy-2-(piperazine-1-carbonylamino)benzoic acid
CID 61406146
2-(3-methylbutanoylamino)-5-(trifluoromethyl)benzoic acid
CID 66269531

Frequently Asked Questions

What is the IUPAC name of 2-(morpholine-4-carbonylamino)-5-(trifluoromethyl)benzoic acid?
The IUPAC name of 2-(morpholine-4-carbonylamino)-5-(trifluoromethyl)benzoic acid (CID 22268773) is 2-(morpholine-4-carbonylamino)-5-(trifluoromethyl)benzoic acid.
What is the SMILES notation for 2-(morpholine-4-carbonylamino)-5-(trifluoromethyl)benzoic acid?
The canonical SMILES for 2-(morpholine-4-carbonylamino)-5-(trifluoromethyl)benzoic acid is O=C(O)c1cc(C(F)(F)F)ccc1NC(=O)N1CCOCC1.
What is the InChIKey of 2-(morpholine-4-carbonylamino)-5-(trifluoromethyl)benzoic acid?
The InChIKey is DXOOEGINJOFFCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2O4/c14-13(15,16)8-1-2-10(9(7-8)11(19)20)17-12(21)18-3-5-22-6-4-18/h1-2,7H,3-6H2,(H,17,21)(H,19,20).
What are the key properties of 2-(morpholine-4-carbonylamino)-5-(trifluoromethyl)benzoic acid?
2-(morpholine-4-carbonylamino)-5-(trifluoromethyl)benzoic acid has a molecular weight of 318.25 g/mol, XLogP of 2.27, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(morpholine-4-carbonylamino)-5-(trifluoromethyl)benzoic acid is sourced from PubChem (CID 22268773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).