4,5-dichloro-2-(morpholine-4-carbonyl)benzoic acid

C12H11Cl2NO4 — CID 2261344

IUPAC4,5-dichloro-2-(morpholine-4-carbonyl)benzoic acid
SMILESO=C(O)c1cc(Cl)c(Cl)cc1C(=O)N1CCOCC1
InChIInChI=1S/C12H11Cl2NO4/c13-9-5-7(8(12(17)18)6-10(9)14)11(16)15-1-3-19-4-2-15/h5-6H,1-4H2,(H,17,18)
InChIKeyVOZOBWDAKWUGOY-UHFFFAOYSA-N
MW304.13 g/mol
LogP2.16
Rot. Bonds2

About 4,5-dichloro-2-(morpholine-4-carbonyl)benzoic acid

4,5-dichloro-2-(morpholine-4-carbonyl)benzoic acid (PubChem CID 2261344) has the molecular formula C12H11Cl2NO4 and a molecular weight of 304.13 g/mol. Its IUPAC name is 4,5-dichloro-2-(morpholine-4-carbonyl)benzoic acid.

Molecular Properties

Compound Name4,5-dichloro-2-(morpholine-4-carbonyl)benzoic acid
PubChem CID2261344
Molecular FormulaC12H11Cl2NO4
Molecular Weight304.13 g/mol
Exact Mass303.01
IUPAC Name4,5-dichloro-2-(morpholine-4-carbonyl)benzoic acid
SMILESO=C(O)c1cc(Cl)c(Cl)cc1C(=O)N1CCOCC1
InChIInChI=1S/C12H11Cl2NO4/c13-9-5-7(8(12(17)18)6-10(9)14)11(16)15-1-3-19-4-2-15/h5-6H,1-4H2,(H,17,18)
InChIKeyVOZOBWDAKWUGOY-UHFFFAOYSA-N
XLogP2.16
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.13
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-(morpholine-4-carbonyl)benzoic acid?
The IUPAC name of 4,5-dichloro-2-(morpholine-4-carbonyl)benzoic acid (CID 2261344) is 4,5-dichloro-2-(morpholine-4-carbonyl)benzoic acid.
What is the SMILES notation for 4,5-dichloro-2-(morpholine-4-carbonyl)benzoic acid?
The canonical SMILES for 4,5-dichloro-2-(morpholine-4-carbonyl)benzoic acid is O=C(O)c1cc(Cl)c(Cl)cc1C(=O)N1CCOCC1.
What is the InChIKey of 4,5-dichloro-2-(morpholine-4-carbonyl)benzoic acid?
The InChIKey is VOZOBWDAKWUGOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2NO4/c13-9-5-7(8(12(17)18)6-10(9)14)11(16)15-1-3-19-4-2-15/h5-6H,1-4H2,(H,17,18).
What are the key properties of 4,5-dichloro-2-(morpholine-4-carbonyl)benzoic acid?
4,5-dichloro-2-(morpholine-4-carbonyl)benzoic acid has a molecular weight of 304.13 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-(morpholine-4-carbonyl)benzoic acid is sourced from PubChem (CID 2261344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).