N-(3-chlorophenyl)-N'-[(Z)-[4-[2-oxo-2-(2-phenylethylamino)ethoxy]phenyl]methylideneamino]oxamide

C25H23ClN4O4 — CID 94832718

IUPACN-(3-chlorophenyl)-N'-[(Z)-[4-[2-oxo-2-(2-phenylethylamino)ethoxy]phenyl]methylideneamino]oxamide
SMILESO=C(COc1ccc(/C=N\NC(=O)C(=O)Nc2cccc(Cl)c2)cc1)NCCc1ccccc1
InChIInChI=1S/C25H23ClN4O4/c26-20-7-4-8-21(15-20)29-24(32)25(33)30-28-16-19-9-11-22(12-10-19)34-17-23(31)27-14-13-18-5-2-1-3-6-18/h1-12,15-16H,13-14,17H2,(H,27,31)(H,29,32)(H,30,33)/b28-16-
InChIKeyPZJRMJGYJPLISN-NTFVMDSBSA-N
MW478.94 g/mol
LogP3.17
Rot. Bonds9

About N-(3-chlorophenyl)-N'-[(Z)-[4-[2-oxo-2-(2-phenylethylamino)ethoxy]phenyl]methylideneamino]oxamide

N-(3-chlorophenyl)-N'-[(Z)-[4-[2-oxo-2-(2-phenylethylamino)ethoxy]phenyl]methylideneamino]oxamide (PubChem CID 94832718) has the molecular formula C25H23ClN4O4 and a molecular weight of 478.94 g/mol. Its IUPAC name is N-(3-chlorophenyl)-N'-[(Z)-[4-[2-oxo-2-(2-phenylethylamino)ethoxy]phenyl]methylideneamino]oxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-N'-[(Z)-[4-[2-oxo-2-(2-phenylethylamino)ethoxy]phenyl]methylideneamino]oxamide
PubChem CID94832718
Molecular FormulaC25H23ClN4O4
Molecular Weight478.94 g/mol
Exact Mass478.14
IUPAC NameN-(3-chlorophenyl)-N'-[(Z)-[4-[2-oxo-2-(2-phenylethylamino)ethoxy]phenyl]methylideneamino]oxamide
SMILESO=C(COc1ccc(/C=N\NC(=O)C(=O)Nc2cccc(Cl)c2)cc1)NCCc1ccccc1
InChIInChI=1S/C25H23ClN4O4/c26-20-7-4-8-21(15-20)29-24(32)25(33)30-28-16-19-9-11-22(12-10-19)34-17-23(31)27-14-13-18-5-2-1-3-6-18/h1-12,15-16H,13-14,17H2,(H,27,31)(H,29,32)(H,30,33)/b28-16-
InChIKeyPZJRMJGYJPLISN-NTFVMDSBSA-N
XLogP3.17
TPSA108.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.94
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-N'-[(Z)-[4-[2-oxo-2-(2-phenylethylamino)ethoxy]phenyl]methylideneamino]oxamide?
The IUPAC name of N-(3-chlorophenyl)-N'-[(Z)-[4-[2-oxo-2-(2-phenylethylamino)ethoxy]phenyl]methylideneamino]oxamide (CID 94832718) is N-(3-chlorophenyl)-N'-[(Z)-[4-[2-oxo-2-(2-phenylethylamino)ethoxy]phenyl]methylideneamino]oxamide.
What is the SMILES notation for N-(3-chlorophenyl)-N'-[(Z)-[4-[2-oxo-2-(2-phenylethylamino)ethoxy]phenyl]methylideneamino]oxamide?
The canonical SMILES for N-(3-chlorophenyl)-N'-[(Z)-[4-[2-oxo-2-(2-phenylethylamino)ethoxy]phenyl]methylideneamino]oxamide is O=C(COc1ccc(/C=N\NC(=O)C(=O)Nc2cccc(Cl)c2)cc1)NCCc1ccccc1.
What is the InChIKey of N-(3-chlorophenyl)-N'-[(Z)-[4-[2-oxo-2-(2-phenylethylamino)ethoxy]phenyl]methylideneamino]oxamide?
The InChIKey is PZJRMJGYJPLISN-NTFVMDSBSA-N. The full InChI is InChI=1S/C25H23ClN4O4/c26-20-7-4-8-21(15-20)29-24(32)25(33)30-28-16-19-9-11-22(12-10-19)34-17-23(31)27-14-13-18-5-2-1-3-6-18/h1-12,15-16H,13-14,17H2,(H,27,31)(H,29,32)(H,30,33)/b28-16-.
What are the key properties of N-(3-chlorophenyl)-N'-[(Z)-[4-[2-oxo-2-(2-phenylethylamino)ethoxy]phenyl]methylideneamino]oxamide?
N-(3-chlorophenyl)-N'-[(Z)-[4-[2-oxo-2-(2-phenylethylamino)ethoxy]phenyl]methylideneamino]oxamide has a molecular weight of 478.94 g/mol, XLogP of 3.17, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-N'-[(Z)-[4-[2-oxo-2-(2-phenylethylamino)ethoxy]phenyl]methylideneamino]oxamide is sourced from PubChem (CID 94832718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).