N-(2-morpholin-4-ylethyl)-2-(2,4,5-trichlorophenoxy)acetamide

C14H17Cl3N2O3 — CID 2204057

IUPACN-(2-morpholin-4-ylethyl)-2-(2,4,5-trichlorophenoxy)acetamide
SMILESO=C(COc1cc(Cl)c(Cl)cc1Cl)NCCN1CCOCC1
InChIInChI=1S/C14H17Cl3N2O3/c15-10-7-12(17)13(8-11(10)16)22-9-14(20)18-1-2-19-3-5-21-6-4-19/h7-8H,1-6,9H2,(H,18,20)
InChIKeyXNANKJAQODXCNX-UHFFFAOYSA-N
MW367.66 g/mol
LogP2.47
Rot. Bonds6

About N-(2-morpholin-4-ylethyl)-2-(2,4,5-trichlorophenoxy)acetamide

N-(2-morpholin-4-ylethyl)-2-(2,4,5-trichlorophenoxy)acetamide (PubChem CID 2204057) has the molecular formula C14H17Cl3N2O3 and a molecular weight of 367.66 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-2-(2,4,5-trichlorophenoxy)acetamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-2-(2,4,5-trichlorophenoxy)acetamide
PubChem CID2204057
Molecular FormulaC14H17Cl3N2O3
Molecular Weight367.66 g/mol
Exact Mass366.03
IUPAC NameN-(2-morpholin-4-ylethyl)-2-(2,4,5-trichlorophenoxy)acetamide
SMILESO=C(COc1cc(Cl)c(Cl)cc1Cl)NCCN1CCOCC1
InChIInChI=1S/C14H17Cl3N2O3/c15-10-7-12(17)13(8-11(10)16)22-9-14(20)18-1-2-19-3-5-21-6-4-19/h7-8H,1-6,9H2,(H,18,20)
InChIKeyXNANKJAQODXCNX-UHFFFAOYSA-N
XLogP2.47
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.66
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-2-(2,4,5-trichlorophenoxy)acetamide?
The IUPAC name of N-(2-morpholin-4-ylethyl)-2-(2,4,5-trichlorophenoxy)acetamide (CID 2204057) is N-(2-morpholin-4-ylethyl)-2-(2,4,5-trichlorophenoxy)acetamide.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-2-(2,4,5-trichlorophenoxy)acetamide?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-2-(2,4,5-trichlorophenoxy)acetamide is O=C(COc1cc(Cl)c(Cl)cc1Cl)NCCN1CCOCC1.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-2-(2,4,5-trichlorophenoxy)acetamide?
The InChIKey is XNANKJAQODXCNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl3N2O3/c15-10-7-12(17)13(8-11(10)16)22-9-14(20)18-1-2-19-3-5-21-6-4-19/h7-8H,1-6,9H2,(H,18,20).
What are the key properties of N-(2-morpholin-4-ylethyl)-2-(2,4,5-trichlorophenoxy)acetamide?
N-(2-morpholin-4-ylethyl)-2-(2,4,5-trichlorophenoxy)acetamide has a molecular weight of 367.66 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-2-(2,4,5-trichlorophenoxy)acetamide is sourced from PubChem (CID 2204057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).