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

C19H20ClN3O3 — CID 108507752

IUPACN-[(4-chlorophenyl)methyl]-N'-(2-morpholin-4-ylphenyl)oxamide
SMILESO=C(NCc1ccc(Cl)cc1)C(=O)Nc1ccccc1N1CCOCC1
InChIInChI=1S/C19H20ClN3O3/c20-15-7-5-14(6-8-15)13-21-18(24)19(25)22-16-3-1-2-4-17(16)23-9-11-26-12-10-23/h1-8H,9-13H2,(H,21,24)(H,22,25)
InChIKeyRSWRBWKSUVPNKN-UHFFFAOYSA-N
MW373.84 g/mol
LogP2.43
Rot. Bonds4

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

N-[(4-chlorophenyl)methyl]-N'-(2-morpholin-4-ylphenyl)oxamide (PubChem CID 108507752) has the molecular formula C19H20ClN3O3 and a molecular weight of 373.84 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-N'-(2-morpholin-4-ylphenyl)oxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-N'-(2-morpholin-4-ylphenyl)oxamide
PubChem CID108507752
Molecular FormulaC19H20ClN3O3
Molecular Weight373.84 g/mol
Exact Mass373.12
IUPAC NameN-[(4-chlorophenyl)methyl]-N'-(2-morpholin-4-ylphenyl)oxamide
SMILESO=C(NCc1ccc(Cl)cc1)C(=O)Nc1ccccc1N1CCOCC1
InChIInChI=1S/C19H20ClN3O3/c20-15-7-5-14(6-8-15)13-21-18(24)19(25)22-16-3-1-2-4-17(16)23-9-11-26-12-10-23/h1-8H,9-13H2,(H,21,24)(H,22,25)
InChIKeyRSWRBWKSUVPNKN-UHFFFAOYSA-N
XLogP2.43
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.84
LogP ≤ 52.43
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-[(4-chlorophenyl)methyl]-N'-(2-morpholin-4-ylphenyl)oxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-N'-(2-morpholin-4-ylphenyl)oxamide (CID 108507752) is N-[(4-chlorophenyl)methyl]-N'-(2-morpholin-4-ylphenyl)oxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-N'-(2-morpholin-4-ylphenyl)oxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-N'-(2-morpholin-4-ylphenyl)oxamide is O=C(NCc1ccc(Cl)cc1)C(=O)Nc1ccccc1N1CCOCC1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-N'-(2-morpholin-4-ylphenyl)oxamide?
The InChIKey is RSWRBWKSUVPNKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O3/c20-15-7-5-14(6-8-15)13-21-18(24)19(25)22-16-3-1-2-4-17(16)23-9-11-26-12-10-23/h1-8H,9-13H2,(H,21,24)(H,22,25).
What are the key properties of N-[(4-chlorophenyl)methyl]-N'-(2-morpholin-4-ylphenyl)oxamide?
N-[(4-chlorophenyl)methyl]-N'-(2-morpholin-4-ylphenyl)oxamide has a molecular weight of 373.84 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-N'-(2-morpholin-4-ylphenyl)oxamide is sourced from PubChem (CID 108507752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).