N-(2-chlorophenyl)-N'-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]oxamide

C18H16ClN3O3 — CID 45055122

IUPACN-(2-chlorophenyl)-N'-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]oxamide
SMILESC=CCOc1ccccc1/C=N/NC(=O)C(=O)Nc1ccccc1Cl
InChIInChI=1S/C18H16ClN3O3/c1-2-11-25-16-10-6-3-7-13(16)12-20-22-18(24)17(23)21-15-9-5-4-8-14(15)19/h2-10,12H,1,11H2,(H,21,23)(H,22,24)/b20-12+
InChIKeyDFLDGRIOMRLFMI-UDWIEESQSA-N
MW357.80 g/mol
LogP2.99
Rot. Bonds6

About N-(2-chlorophenyl)-N'-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]oxamide

N-(2-chlorophenyl)-N'-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]oxamide (PubChem CID 45055122) has the molecular formula C18H16ClN3O3 and a molecular weight of 357.80 g/mol. Its IUPAC name is N-(2-chlorophenyl)-N'-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]oxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-N'-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]oxamide
PubChem CID45055122
Molecular FormulaC18H16ClN3O3
Molecular Weight357.80 g/mol
Exact Mass357.09
IUPAC NameN-(2-chlorophenyl)-N'-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]oxamide
SMILESC=CCOc1ccccc1/C=N/NC(=O)C(=O)Nc1ccccc1Cl
InChIInChI=1S/C18H16ClN3O3/c1-2-11-25-16-10-6-3-7-13(16)12-20-22-18(24)17(23)21-15-9-5-4-8-14(15)19/h2-10,12H,1,11H2,(H,21,23)(H,22,24)/b20-12+
InChIKeyDFLDGRIOMRLFMI-UDWIEESQSA-N
XLogP2.99
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.80
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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-(2-chlorophenyl)-N'-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]oxamide?
The IUPAC name of N-(2-chlorophenyl)-N'-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]oxamide (CID 45055122) is N-(2-chlorophenyl)-N'-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]oxamide.
What is the SMILES notation for N-(2-chlorophenyl)-N'-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]oxamide?
The canonical SMILES for N-(2-chlorophenyl)-N'-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]oxamide is C=CCOc1ccccc1/C=N/NC(=O)C(=O)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-N'-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]oxamide?
The InChIKey is DFLDGRIOMRLFMI-UDWIEESQSA-N. The full InChI is InChI=1S/C18H16ClN3O3/c1-2-11-25-16-10-6-3-7-13(16)12-20-22-18(24)17(23)21-15-9-5-4-8-14(15)19/h2-10,12H,1,11H2,(H,21,23)(H,22,24)/b20-12+.
What are the key properties of N-(2-chlorophenyl)-N'-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]oxamide?
N-(2-chlorophenyl)-N'-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]oxamide has a molecular weight of 357.80 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-N'-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]oxamide is sourced from PubChem (CID 45055122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).