N-[2-(2,4-dichlorophenoxy)acetyl]morpholine-4-carboxamide

C13H14Cl2N2O4 — CID 971322

IUPACN-[2-(2,4-dichlorophenoxy)acetyl]morpholine-4-carboxamide
SMILESO=C(COc1ccc(Cl)cc1Cl)NC(=O)N1CCOCC1
InChIInChI=1S/C13H14Cl2N2O4/c14-9-1-2-11(10(15)7-9)21-8-12(18)16-13(19)17-3-5-20-6-4-17/h1-2,7H,3-6,8H2,(H,16,18,19)
InChIKeyIEJUIZFPMLXMMS-UHFFFAOYSA-N
MW333.17 g/mol
LogP1.94
Rot. Bonds3

About N-[2-(2,4-dichlorophenoxy)acetyl]morpholine-4-carboxamide

N-[2-(2,4-dichlorophenoxy)acetyl]morpholine-4-carboxamide (PubChem CID 971322) has the molecular formula C13H14Cl2N2O4 and a molecular weight of 333.17 g/mol. Its IUPAC name is N-[2-(2,4-dichlorophenoxy)acetyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2,4-dichlorophenoxy)acetyl]morpholine-4-carboxamide
PubChem CID971322
Molecular FormulaC13H14Cl2N2O4
Molecular Weight333.17 g/mol
Exact Mass332.03
IUPAC NameN-[2-(2,4-dichlorophenoxy)acetyl]morpholine-4-carboxamide
SMILESO=C(COc1ccc(Cl)cc1Cl)NC(=O)N1CCOCC1
InChIInChI=1S/C13H14Cl2N2O4/c14-9-1-2-11(10(15)7-9)21-8-12(18)16-13(19)17-3-5-20-6-4-17/h1-2,7H,3-6,8H2,(H,16,18,19)
InChIKeyIEJUIZFPMLXMMS-UHFFFAOYSA-N
XLogP1.94
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.17
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichlorophenoxy)acetyl]morpholine-4-carboxamide?
The IUPAC name of N-[2-(2,4-dichlorophenoxy)acetyl]morpholine-4-carboxamide (CID 971322) is N-[2-(2,4-dichlorophenoxy)acetyl]morpholine-4-carboxamide.
What is the SMILES notation for N-[2-(2,4-dichlorophenoxy)acetyl]morpholine-4-carboxamide?
The canonical SMILES for N-[2-(2,4-dichlorophenoxy)acetyl]morpholine-4-carboxamide is O=C(COc1ccc(Cl)cc1Cl)NC(=O)N1CCOCC1.
What is the InChIKey of N-[2-(2,4-dichlorophenoxy)acetyl]morpholine-4-carboxamide?
The InChIKey is IEJUIZFPMLXMMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N2O4/c14-9-1-2-11(10(15)7-9)21-8-12(18)16-13(19)17-3-5-20-6-4-17/h1-2,7H,3-6,8H2,(H,16,18,19).
What are the key properties of N-[2-(2,4-dichlorophenoxy)acetyl]morpholine-4-carboxamide?
N-[2-(2,4-dichlorophenoxy)acetyl]morpholine-4-carboxamide has a molecular weight of 333.17 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dichlorophenoxy)acetyl]morpholine-4-carboxamide is sourced from PubChem (CID 971322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).