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

C13H14Cl4N2O2 — CID 3092687

IUPAC3-chloro-N-(2,2,2-trichloro-1-morpholin-4-ylethyl)benzamide
SMILESO=C(NC(N1CCOCC1)C(Cl)(Cl)Cl)c1cccc(Cl)c1
InChIInChI=1S/C13H14Cl4N2O2/c14-10-3-1-2-9(8-10)11(20)18-12(13(15,16)17)19-4-6-21-7-5-19/h1-3,8,12H,4-7H2,(H,18,20)
InChIKeyJVOFXWZTXFPBNX-UHFFFAOYSA-N
MW372.08 g/mol
LogP3.10
Rot. Bonds3

About 3-chloro-N-(2,2,2-trichloro-1-morpholin-4-ylethyl)benzamide

3-chloro-N-(2,2,2-trichloro-1-morpholin-4-ylethyl)benzamide (PubChem CID 3092687) has the molecular formula C13H14Cl4N2O2 and a molecular weight of 372.08 g/mol. Its IUPAC name is 3-chloro-N-(2,2,2-trichloro-1-morpholin-4-ylethyl)benzamide.

Molecular Properties

Compound Name3-chloro-N-(2,2,2-trichloro-1-morpholin-4-ylethyl)benzamide
PubChem CID3092687
Molecular FormulaC13H14Cl4N2O2
Molecular Weight372.08 g/mol
Exact Mass369.98
IUPAC Name3-chloro-N-(2,2,2-trichloro-1-morpholin-4-ylethyl)benzamide
SMILESO=C(NC(N1CCOCC1)C(Cl)(Cl)Cl)c1cccc(Cl)c1
InChIInChI=1S/C13H14Cl4N2O2/c14-10-3-1-2-9(8-10)11(20)18-12(13(15,16)17)19-4-6-21-7-5-19/h1-3,8,12H,4-7H2,(H,18,20)
InChIKeyJVOFXWZTXFPBNX-UHFFFAOYSA-N
XLogP3.10
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.08
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-[2-(furan-2-yl)-2-morpholin-4-ylethyl]benzamide
CID 16809743
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CID 669179
3-chloro-N-[2-(4-ethylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 112506584
3-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)benzamide
CID 5096755
3-chloro-N-morpholin-4-ium-4-ylbenzamide
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CID 669184
3-chloro-N-[2-[(3-ethyl-2-morpholin-4-ylpentyl)amino]-2-oxoethyl]benzamide
CID 55550745
3-chloro-N-(4-morpholin-4-ylbut-2-ynyl)benzamide
CID 71792689
1-(3-chlorophenyl)-2-morpholin-4-ylethanone
CID 43227690
3-chloro-N-(dicyclopropylmethyl)benzamide
CID 18153337
N-[(1R)-1-(3-chlorophenyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide
CID 7944643
N-[(1S)-1-(3-chlorophenyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide
CID 7944640

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2,2,2-trichloro-1-morpholin-4-ylethyl)benzamide?
The IUPAC name of 3-chloro-N-(2,2,2-trichloro-1-morpholin-4-ylethyl)benzamide (CID 3092687) is 3-chloro-N-(2,2,2-trichloro-1-morpholin-4-ylethyl)benzamide.
What is the SMILES notation for 3-chloro-N-(2,2,2-trichloro-1-morpholin-4-ylethyl)benzamide?
The canonical SMILES for 3-chloro-N-(2,2,2-trichloro-1-morpholin-4-ylethyl)benzamide is O=C(NC(N1CCOCC1)C(Cl)(Cl)Cl)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-(2,2,2-trichloro-1-morpholin-4-ylethyl)benzamide?
The InChIKey is JVOFXWZTXFPBNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl4N2O2/c14-10-3-1-2-9(8-10)11(20)18-12(13(15,16)17)19-4-6-21-7-5-19/h1-3,8,12H,4-7H2,(H,18,20).
What are the key properties of 3-chloro-N-(2,2,2-trichloro-1-morpholin-4-ylethyl)benzamide?
3-chloro-N-(2,2,2-trichloro-1-morpholin-4-ylethyl)benzamide has a molecular weight of 372.08 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2,2,2-trichloro-1-morpholin-4-ylethyl)benzamide is sourced from PubChem (CID 3092687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).