2-(4-chlorophenyl)-N-[3-(3-methylmorpholine-4-carbonyl)phenyl]acetamide

C20H21ClN2O3 — CID 110352861

IUPAC2-(4-chlorophenyl)-N-[3-(3-methylmorpholine-4-carbonyl)phenyl]acetamide
SMILESCC1COCCN1C(=O)c1cccc(NC(=O)Cc2ccc(Cl)cc2)c1
InChIInChI=1S/C20H21ClN2O3/c1-14-13-26-10-9-23(14)20(25)16-3-2-4-18(12-16)22-19(24)11-15-5-7-17(21)8-6-15/h2-8,12,14H,9-11,13H2,1H3,(H,22,24)
InChIKeyKZTWXLDJSMEZBH-UHFFFAOYSA-N
MW372.85 g/mol
LogP3.38
Rot. Bonds4

About 2-(4-chlorophenyl)-N-[3-(3-methylmorpholine-4-carbonyl)phenyl]acetamide

2-(4-chlorophenyl)-N-[3-(3-methylmorpholine-4-carbonyl)phenyl]acetamide (PubChem CID 110352861) has the molecular formula C20H21ClN2O3 and a molecular weight of 372.85 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[3-(3-methylmorpholine-4-carbonyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[3-(3-methylmorpholine-4-carbonyl)phenyl]acetamide
PubChem CID110352861
Molecular FormulaC20H21ClN2O3
Molecular Weight372.85 g/mol
Exact Mass372.12
IUPAC Name2-(4-chlorophenyl)-N-[3-(3-methylmorpholine-4-carbonyl)phenyl]acetamide
SMILESCC1COCCN1C(=O)c1cccc(NC(=O)Cc2ccc(Cl)cc2)c1
InChIInChI=1S/C20H21ClN2O3/c1-14-13-26-10-9-23(14)20(25)16-3-2-4-18(12-16)22-19(24)11-15-5-7-17(21)8-6-15/h2-8,12,14H,9-11,13H2,1H3,(H,22,24)
InChIKeyKZTWXLDJSMEZBH-UHFFFAOYSA-N
XLogP3.38
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.85
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[3-(3-methylmorpholine-4-carbonyl)phenyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[3-(3-methylmorpholine-4-carbonyl)phenyl]acetamide (CID 110352861) is 2-(4-chlorophenyl)-N-[3-(3-methylmorpholine-4-carbonyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[3-(3-methylmorpholine-4-carbonyl)phenyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[3-(3-methylmorpholine-4-carbonyl)phenyl]acetamide is CC1COCCN1C(=O)c1cccc(NC(=O)Cc2ccc(Cl)cc2)c1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[3-(3-methylmorpholine-4-carbonyl)phenyl]acetamide?
The InChIKey is KZTWXLDJSMEZBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O3/c1-14-13-26-10-9-23(14)20(25)16-3-2-4-18(12-16)22-19(24)11-15-5-7-17(21)8-6-15/h2-8,12,14H,9-11,13H2,1H3,(H,22,24).
What are the key properties of 2-(4-chlorophenyl)-N-[3-(3-methylmorpholine-4-carbonyl)phenyl]acetamide?
2-(4-chlorophenyl)-N-[3-(3-methylmorpholine-4-carbonyl)phenyl]acetamide has a molecular weight of 372.85 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[3-(3-methylmorpholine-4-carbonyl)phenyl]acetamide is sourced from PubChem (CID 110352861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).