4-fluoro-N-(2,2,2-trichloro-1-morpholin-4-ylethyl)benzamide

C13H14Cl3FN2O2 — CID 4078131

IUPAC4-fluoro-N-(2,2,2-trichloro-1-morpholin-4-ylethyl)benzamide
SMILESO=C(NC(N1CCOCC1)C(Cl)(Cl)Cl)c1ccc(F)cc1
InChIInChI=1S/C13H14Cl3FN2O2/c14-13(15,16)12(19-5-7-21-8-6-19)18-11(20)9-1-3-10(17)4-2-9/h1-4,12H,5-8H2,(H,18,20)
InChIKeyDPJAVSCKVGBKCW-UHFFFAOYSA-N
MW355.62 g/mol
LogP2.58
Rot. Bonds3

About 4-fluoro-N-(2,2,2-trichloro-1-morpholin-4-ylethyl)benzamide

4-fluoro-N-(2,2,2-trichloro-1-morpholin-4-ylethyl)benzamide (PubChem CID 4078131) has the molecular formula C13H14Cl3FN2O2 and a molecular weight of 355.62 g/mol. Its IUPAC name is 4-fluoro-N-(2,2,2-trichloro-1-morpholin-4-ylethyl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-(2,2,2-trichloro-1-morpholin-4-ylethyl)benzamide
PubChem CID4078131
Molecular FormulaC13H14Cl3FN2O2
Molecular Weight355.62 g/mol
Exact Mass354.01
IUPAC Name4-fluoro-N-(2,2,2-trichloro-1-morpholin-4-ylethyl)benzamide
SMILESO=C(NC(N1CCOCC1)C(Cl)(Cl)Cl)c1ccc(F)cc1
InChIInChI=1S/C13H14Cl3FN2O2/c14-13(15,16)12(19-5-7-21-8-6-19)18-11(20)9-1-3-10(17)4-2-9/h1-4,12H,5-8H2,(H,18,20)
InChIKeyDPJAVSCKVGBKCW-UHFFFAOYSA-N
XLogP2.58
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.62
LogP ≤ 52.58
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 4-fluoro-N-(2,2,2-trichloro-1-morpholin-4-ylethyl)benzamide?
The IUPAC name of 4-fluoro-N-(2,2,2-trichloro-1-morpholin-4-ylethyl)benzamide (CID 4078131) is 4-fluoro-N-(2,2,2-trichloro-1-morpholin-4-ylethyl)benzamide.
What is the SMILES notation for 4-fluoro-N-(2,2,2-trichloro-1-morpholin-4-ylethyl)benzamide?
The canonical SMILES for 4-fluoro-N-(2,2,2-trichloro-1-morpholin-4-ylethyl)benzamide is O=C(NC(N1CCOCC1)C(Cl)(Cl)Cl)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-(2,2,2-trichloro-1-morpholin-4-ylethyl)benzamide?
The InChIKey is DPJAVSCKVGBKCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl3FN2O2/c14-13(15,16)12(19-5-7-21-8-6-19)18-11(20)9-1-3-10(17)4-2-9/h1-4,12H,5-8H2,(H,18,20).
What are the key properties of 4-fluoro-N-(2,2,2-trichloro-1-morpholin-4-ylethyl)benzamide?
4-fluoro-N-(2,2,2-trichloro-1-morpholin-4-ylethyl)benzamide has a molecular weight of 355.62 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(2,2,2-trichloro-1-morpholin-4-ylethyl)benzamide is sourced from PubChem (CID 4078131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).