N-[(2-chlorophenyl)methyl]-N'-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]oxamide

C21H22ClN3O4 — CID 16894986

IUPACN-[(2-chlorophenyl)methyl]-N'-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]oxamide
SMILESO=C(NCC(=O)N1CCOC(c2ccccc2)C1)C(=O)NCc1ccccc1Cl
InChIInChI=1S/C21H22ClN3O4/c22-17-9-5-4-8-16(17)12-23-20(27)21(28)24-13-19(26)25-10-11-29-18(14-25)15-6-2-1-3-7-15/h1-9,18H,10-14H2,(H,23,27)(H,24,28)
InChIKeyMJFGDEANCBETBV-UHFFFAOYSA-N
MW415.88 g/mol
LogP1.67
Rot. Bonds5

About N-[(2-chlorophenyl)methyl]-N'-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]oxamide

N-[(2-chlorophenyl)methyl]-N'-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]oxamide (PubChem CID 16894986) has the molecular formula C21H22ClN3O4 and a molecular weight of 415.88 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-N'-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]oxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-N'-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]oxamide
PubChem CID16894986
Molecular FormulaC21H22ClN3O4
Molecular Weight415.88 g/mol
Exact Mass415.13
IUPAC NameN-[(2-chlorophenyl)methyl]-N'-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]oxamide
SMILESO=C(NCC(=O)N1CCOC(c2ccccc2)C1)C(=O)NCc1ccccc1Cl
InChIInChI=1S/C21H22ClN3O4/c22-17-9-5-4-8-16(17)12-23-20(27)21(28)24-13-19(26)25-10-11-29-18(14-25)15-6-2-1-3-7-15/h1-9,18H,10-14H2,(H,23,27)(H,24,28)
InChIKeyMJFGDEANCBETBV-UHFFFAOYSA-N
XLogP1.67
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.88
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(2-chlorophenyl)methyl]-N'-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]oxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-N'-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]oxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-N'-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]oxamide (CID 16894986) is N-[(2-chlorophenyl)methyl]-N'-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]oxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-N'-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]oxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-N'-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]oxamide is O=C(NCC(=O)N1CCOC(c2ccccc2)C1)C(=O)NCc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-N'-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]oxamide?
The InChIKey is MJFGDEANCBETBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O4/c22-17-9-5-4-8-16(17)12-23-20(27)21(28)24-13-19(26)25-10-11-29-18(14-25)15-6-2-1-3-7-15/h1-9,18H,10-14H2,(H,23,27)(H,24,28).
What are the key properties of N-[(2-chlorophenyl)methyl]-N'-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]oxamide?
N-[(2-chlorophenyl)methyl]-N'-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]oxamide has a molecular weight of 415.88 g/mol, XLogP of 1.67, 5 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-oxo-2-(2-phenylmorpholin-4-yl)ethyl]oxamide is sourced from PubChem (CID 16894986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).