N-[(2-chlorophenyl)methyl]-N'-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]oxamide

C21H23ClFN3O3 — CID 18589283

IUPACN-[(2-chlorophenyl)methyl]-N'-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]oxamide
SMILESO=C(NCc1ccccc1Cl)C(=O)NCC(c1ccc(F)cc1)N1CCOCC1
InChIInChI=1S/C21H23ClFN3O3/c22-18-4-2-1-3-16(18)13-24-20(27)21(28)25-14-19(26-9-11-29-12-10-26)15-5-7-17(23)8-6-15/h1-8,19H,9-14H2,(H,24,27)(H,25,28)
InChIKeyAQWZYQBFHSSPPU-UHFFFAOYSA-N
MW419.88 g/mol
LogP2.29
Rot. Bonds6

About N-[(2-chlorophenyl)methyl]-N'-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]oxamide

N-[(2-chlorophenyl)methyl]-N'-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]oxamide (PubChem CID 18589283) has the molecular formula C21H23ClFN3O3 and a molecular weight of 419.88 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-N'-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]oxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-N'-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]oxamide
PubChem CID18589283
Molecular FormulaC21H23ClFN3O3
Molecular Weight419.88 g/mol
Exact Mass419.14
IUPAC NameN-[(2-chlorophenyl)methyl]-N'-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]oxamide
SMILESO=C(NCc1ccccc1Cl)C(=O)NCC(c1ccc(F)cc1)N1CCOCC1
InChIInChI=1S/C21H23ClFN3O3/c22-18-4-2-1-3-16(18)13-24-20(27)21(28)25-14-19(26-9-11-29-12-10-26)15-5-7-17(23)8-6-15/h1-8,19H,9-14H2,(H,24,27)(H,25,28)
InChIKeyAQWZYQBFHSSPPU-UHFFFAOYSA-N
XLogP2.29
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.88
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-N'-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]oxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-N'-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]oxamide (CID 18589283) is N-[(2-chlorophenyl)methyl]-N'-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]oxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-N'-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]oxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-N'-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]oxamide is O=C(NCc1ccccc1Cl)C(=O)NCC(c1ccc(F)cc1)N1CCOCC1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-N'-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]oxamide?
The InChIKey is AQWZYQBFHSSPPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClFN3O3/c22-18-4-2-1-3-16(18)13-24-20(27)21(28)25-14-19(26-9-11-29-12-10-26)15-5-7-17(23)8-6-15/h1-8,19H,9-14H2,(H,24,27)(H,25,28).
What are the key properties of N-[(2-chlorophenyl)methyl]-N'-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]oxamide?
N-[(2-chlorophenyl)methyl]-N'-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]oxamide has a molecular weight of 419.88 g/mol, XLogP of 2.29, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-N'-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]oxamide is sourced from PubChem (CID 18589283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).