2-(4-chloro-2-methylphenoxy)-N-(2-morpholin-4-ylphenyl)propanamide

C20H23ClN2O3 — CID 2999338

IUPAC2-(4-chloro-2-methylphenoxy)-N-(2-morpholin-4-ylphenyl)propanamide
SMILESCc1cc(Cl)ccc1OC(C)C(=O)Nc1ccccc1N1CCOCC1
InChIInChI=1S/C20H23ClN2O3/c1-14-13-16(21)7-8-19(14)26-15(2)20(24)22-17-5-3-4-6-18(17)23-9-11-25-12-10-23/h3-8,13,15H,9-12H2,1-2H3,(H,22,24)
InChIKeyQSYJBBIVXVGYMR-UHFFFAOYSA-N
MW374.87 g/mol
LogP3.89
Rot. Bonds5

About 2-(4-chloro-2-methylphenoxy)-N-(2-morpholin-4-ylphenyl)propanamide

2-(4-chloro-2-methylphenoxy)-N-(2-morpholin-4-ylphenyl)propanamide (PubChem CID 2999338) has the molecular formula C20H23ClN2O3 and a molecular weight of 374.87 g/mol. Its IUPAC name is 2-(4-chloro-2-methylphenoxy)-N-(2-morpholin-4-ylphenyl)propanamide.

Molecular Properties

Compound Name2-(4-chloro-2-methylphenoxy)-N-(2-morpholin-4-ylphenyl)propanamide
PubChem CID2999338
Molecular FormulaC20H23ClN2O3
Molecular Weight374.87 g/mol
Exact Mass374.14
IUPAC Name2-(4-chloro-2-methylphenoxy)-N-(2-morpholin-4-ylphenyl)propanamide
SMILESCc1cc(Cl)ccc1OC(C)C(=O)Nc1ccccc1N1CCOCC1
InChIInChI=1S/C20H23ClN2O3/c1-14-13-16(21)7-8-19(14)26-15(2)20(24)22-17-5-3-4-6-18(17)23-9-11-25-12-10-23/h3-8,13,15H,9-12H2,1-2H3,(H,22,24)
InChIKeyQSYJBBIVXVGYMR-UHFFFAOYSA-N
XLogP3.89
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-(2-morpholin-4-ylphenyl)propanamide?
The IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-(2-morpholin-4-ylphenyl)propanamide (CID 2999338) is 2-(4-chloro-2-methylphenoxy)-N-(2-morpholin-4-ylphenyl)propanamide.
What is the SMILES notation for 2-(4-chloro-2-methylphenoxy)-N-(2-morpholin-4-ylphenyl)propanamide?
The canonical SMILES for 2-(4-chloro-2-methylphenoxy)-N-(2-morpholin-4-ylphenyl)propanamide is Cc1cc(Cl)ccc1OC(C)C(=O)Nc1ccccc1N1CCOCC1.
What is the InChIKey of 2-(4-chloro-2-methylphenoxy)-N-(2-morpholin-4-ylphenyl)propanamide?
The InChIKey is QSYJBBIVXVGYMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O3/c1-14-13-16(21)7-8-19(14)26-15(2)20(24)22-17-5-3-4-6-18(17)23-9-11-25-12-10-23/h3-8,13,15H,9-12H2,1-2H3,(H,22,24).
What are the key properties of 2-(4-chloro-2-methylphenoxy)-N-(2-morpholin-4-ylphenyl)propanamide?
2-(4-chloro-2-methylphenoxy)-N-(2-morpholin-4-ylphenyl)propanamide has a molecular weight of 374.87 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylphenoxy)-N-(2-morpholin-4-ylphenyl)propanamide is sourced from PubChem (CID 2999338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).