N-(3,4-dichlorophenyl)-2-morpholin-4-ylacetamide;oxalic acid

C14H16Cl2N2O6 — CID 23724340

IUPACN-(3,4-dichlorophenyl)-2-morpholin-4-ylacetamide;oxalic acid
SMILESO=C(CN1CCOCC1)Nc1ccc(Cl)c(Cl)c1.O=C(O)C(=O)O
InChIInChI=1S/C12H14Cl2N2O2.C2H2O4/c13-10-2-1-9(7-11(10)14)15-12(17)8-16-3-5-18-6-4-16;3-1(4)2(5)6/h1-2,7H,3-6,8H2,(H,15,17);(H,3,4)(H,5,6)
InChIKeyZKROVCYGIPYRAA-UHFFFAOYSA-N
MW379.20 g/mol
LogP1.42
Rot. Bonds3

About N-(3,4-dichlorophenyl)-2-morpholin-4-ylacetamide;oxalic acid

N-(3,4-dichlorophenyl)-2-morpholin-4-ylacetamide;oxalic acid (PubChem CID 23724340) has the molecular formula C14H16Cl2N2O6 and a molecular weight of 379.20 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-2-morpholin-4-ylacetamide;oxalic acid.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-2-morpholin-4-ylacetamide;oxalic acid
PubChem CID23724340
Molecular FormulaC14H16Cl2N2O6
Molecular Weight379.20 g/mol
Exact Mass378.04
IUPAC NameN-(3,4-dichlorophenyl)-2-morpholin-4-ylacetamide;oxalic acid
SMILESO=C(CN1CCOCC1)Nc1ccc(Cl)c(Cl)c1.O=C(O)C(=O)O
InChIInChI=1S/C12H14Cl2N2O2.C2H2O4/c13-10-2-1-9(7-11(10)14)15-12(17)8-16-3-5-18-6-4-16;3-1(4)2(5)6/h1-2,7H,3-6,8H2,(H,15,17);(H,3,4)(H,5,6)
InChIKeyZKROVCYGIPYRAA-UHFFFAOYSA-N
XLogP1.42
TPSA116.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.20
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-2-morpholin-4-ylacetamide;oxalic acid?
The IUPAC name of N-(3,4-dichlorophenyl)-2-morpholin-4-ylacetamide;oxalic acid (CID 23724340) is N-(3,4-dichlorophenyl)-2-morpholin-4-ylacetamide;oxalic acid.
What is the SMILES notation for N-(3,4-dichlorophenyl)-2-morpholin-4-ylacetamide;oxalic acid?
The canonical SMILES for N-(3,4-dichlorophenyl)-2-morpholin-4-ylacetamide;oxalic acid is O=C(CN1CCOCC1)Nc1ccc(Cl)c(Cl)c1.O=C(O)C(=O)O.
What is the InChIKey of N-(3,4-dichlorophenyl)-2-morpholin-4-ylacetamide;oxalic acid?
The InChIKey is ZKROVCYGIPYRAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2O2.C2H2O4/c13-10-2-1-9(7-11(10)14)15-12(17)8-16-3-5-18-6-4-16;3-1(4)2(5)6/h1-2,7H,3-6,8H2,(H,15,17);(H,3,4)(H,5,6).
What are the key properties of N-(3,4-dichlorophenyl)-2-morpholin-4-ylacetamide;oxalic acid?
N-(3,4-dichlorophenyl)-2-morpholin-4-ylacetamide;oxalic acid has a molecular weight of 379.20 g/mol, XLogP of 1.42, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-2-morpholin-4-ylacetamide;oxalic acid is sourced from PubChem (CID 23724340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).