2,2,2-trichloro-N-(3-chloro-2-morpholin-4-ylphenyl)acetamide

C12H12Cl4N2O2 — CID 1254459

IUPAC2,2,2-trichloro-N-(3-chloro-2-morpholin-4-ylphenyl)acetamide
SMILESO=C(Nc1cccc(Cl)c1N1CCOCC1)C(Cl)(Cl)Cl
InChIInChI=1S/C12H12Cl4N2O2/c13-8-2-1-3-9(17-11(19)12(14,15)16)10(8)18-4-6-20-7-5-18/h1-3H,4-7H2,(H,17,19)
InChIKeyVMXYOXZNYZGGMC-UHFFFAOYSA-N
MW358.05 g/mol
LogP3.49
Rot. Bonds2

About 2,2,2-trichloro-N-(3-chloro-2-morpholin-4-ylphenyl)acetamide

2,2,2-trichloro-N-(3-chloro-2-morpholin-4-ylphenyl)acetamide (PubChem CID 1254459) has the molecular formula C12H12Cl4N2O2 and a molecular weight of 358.05 g/mol. Its IUPAC name is 2,2,2-trichloro-N-(3-chloro-2-morpholin-4-ylphenyl)acetamide.

Molecular Properties

Compound Name2,2,2-trichloro-N-(3-chloro-2-morpholin-4-ylphenyl)acetamide
PubChem CID1254459
Molecular FormulaC12H12Cl4N2O2
Molecular Weight358.05 g/mol
Exact Mass355.97
IUPAC Name2,2,2-trichloro-N-(3-chloro-2-morpholin-4-ylphenyl)acetamide
SMILESO=C(Nc1cccc(Cl)c1N1CCOCC1)C(Cl)(Cl)Cl
InChIInChI=1S/C12H12Cl4N2O2/c13-8-2-1-3-9(17-11(19)12(14,15)16)10(8)18-4-6-20-7-5-18/h1-3H,4-7H2,(H,17,19)
InChIKeyVMXYOXZNYZGGMC-UHFFFAOYSA-N
XLogP3.49
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.05
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trichloro-N-(3-chloro-2-morpholin-4-ylphenyl)acetamide?
The IUPAC name of 2,2,2-trichloro-N-(3-chloro-2-morpholin-4-ylphenyl)acetamide (CID 1254459) is 2,2,2-trichloro-N-(3-chloro-2-morpholin-4-ylphenyl)acetamide.
What is the SMILES notation for 2,2,2-trichloro-N-(3-chloro-2-morpholin-4-ylphenyl)acetamide?
The canonical SMILES for 2,2,2-trichloro-N-(3-chloro-2-morpholin-4-ylphenyl)acetamide is O=C(Nc1cccc(Cl)c1N1CCOCC1)C(Cl)(Cl)Cl.
What is the InChIKey of 2,2,2-trichloro-N-(3-chloro-2-morpholin-4-ylphenyl)acetamide?
The InChIKey is VMXYOXZNYZGGMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl4N2O2/c13-8-2-1-3-9(17-11(19)12(14,15)16)10(8)18-4-6-20-7-5-18/h1-3H,4-7H2,(H,17,19).
What are the key properties of 2,2,2-trichloro-N-(3-chloro-2-morpholin-4-ylphenyl)acetamide?
2,2,2-trichloro-N-(3-chloro-2-morpholin-4-ylphenyl)acetamide has a molecular weight of 358.05 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trichloro-N-(3-chloro-2-morpholin-4-ylphenyl)acetamide is sourced from PubChem (CID 1254459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).