N'-[(Z)-(5-chloro-2-prop-2-enoxyphenyl)methylideneamino]-N-(2-fluorophenyl)oxamide

C18H15ClFN3O3 — CID 8989282

IUPACN'-[(Z)-(5-chloro-2-prop-2-enoxyphenyl)methylideneamino]-N-(2-fluorophenyl)oxamide
SMILESC=CCOc1ccc(Cl)cc1/C=N\NC(=O)C(=O)Nc1ccccc1F
InChIInChI=1S/C18H15ClFN3O3/c1-2-9-26-16-8-7-13(19)10-12(16)11-21-23-18(25)17(24)22-15-6-4-3-5-14(15)20/h2-8,10-11H,1,9H2,(H,22,24)(H,23,25)/b21-11-
InChIKeyOWBZOSMWATWDGW-NHDPSOOVSA-N
MW375.79 g/mol
LogP3.13
Rot. Bonds6

About N'-[(Z)-(5-chloro-2-prop-2-enoxyphenyl)methylideneamino]-N-(2-fluorophenyl)oxamide

N'-[(Z)-(5-chloro-2-prop-2-enoxyphenyl)methylideneamino]-N-(2-fluorophenyl)oxamide (PubChem CID 8989282) has the molecular formula C18H15ClFN3O3 and a molecular weight of 375.79 g/mol. Its IUPAC name is N'-[(Z)-(5-chloro-2-prop-2-enoxyphenyl)methylideneamino]-N-(2-fluorophenyl)oxamide.

Molecular Properties

Compound NameN'-[(Z)-(5-chloro-2-prop-2-enoxyphenyl)methylideneamino]-N-(2-fluorophenyl)oxamide
PubChem CID8989282
Molecular FormulaC18H15ClFN3O3
Molecular Weight375.79 g/mol
Exact Mass375.08
IUPAC NameN'-[(Z)-(5-chloro-2-prop-2-enoxyphenyl)methylideneamino]-N-(2-fluorophenyl)oxamide
SMILESC=CCOc1ccc(Cl)cc1/C=N\NC(=O)C(=O)Nc1ccccc1F
InChIInChI=1S/C18H15ClFN3O3/c1-2-9-26-16-8-7-13(19)10-12(16)11-21-23-18(25)17(24)22-15-6-4-3-5-14(15)20/h2-8,10-11H,1,9H2,(H,22,24)(H,23,25)/b21-11-
InChIKeyOWBZOSMWATWDGW-NHDPSOOVSA-N
XLogP3.13
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.79
LogP ≤ 53.13
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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Related Compounds

N'-[(Z)-[5-chloro-2-[2-(2,3-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-fluorophenyl)oxamide
CID 126175285
N'-[(Z)-[2-[2-(benzylamino)-2-oxoethoxy]-5-chlorophenyl]methylideneamino]-N-(2-fluorophenyl)oxamide
CID 126262087
N'-[(Z)-[5-chloro-2-[2-(2,3-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-prop-2-enoxyphenyl)oxamide
CID 126179631
2-[4-chloro-2-[(E)-hydroxyiminomethyl]phenoxy]-N-(2-fluorophenyl)acetamide
CID 124555225
N-(2-fluorophenyl)-N'-[(Z)-(2-propoxyphenyl)methylideneamino]oxamide
CID 8988803
N-(2-fluorophenyl)-N'-[(Z)-[2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]oxamide
CID 8930437
N'-[(Z)-[2-(2-amino-2-oxoethoxy)-5-chlorophenyl]methylideneamino]-N-(2-ethoxyphenyl)oxamide
CID 8990204
2-[4-chloro-2-[(Z)-[[2-(2,3-dimethylanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 8989649
N'-[(Z)-[5-chloro-2-[2-(2,4-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-methylphenyl)oxamide
CID 126176101
N'-[(Z)-[5-chloro-2-[2-(2,3-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-ethoxyphenyl)oxamide
CID 126164070
N'-[(Z)-[2-[2-(2-ethylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-fluorophenyl)oxamide
CID 126266532
N'-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-N-(2-fluorophenyl)propanediamide
CID 135716005

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-(5-chloro-2-prop-2-enoxyphenyl)methylideneamino]-N-(2-fluorophenyl)oxamide?
The IUPAC name of N'-[(Z)-(5-chloro-2-prop-2-enoxyphenyl)methylideneamino]-N-(2-fluorophenyl)oxamide (CID 8989282) is N'-[(Z)-(5-chloro-2-prop-2-enoxyphenyl)methylideneamino]-N-(2-fluorophenyl)oxamide.
What is the SMILES notation for N'-[(Z)-(5-chloro-2-prop-2-enoxyphenyl)methylideneamino]-N-(2-fluorophenyl)oxamide?
The canonical SMILES for N'-[(Z)-(5-chloro-2-prop-2-enoxyphenyl)methylideneamino]-N-(2-fluorophenyl)oxamide is C=CCOc1ccc(Cl)cc1/C=N\NC(=O)C(=O)Nc1ccccc1F.
What is the InChIKey of N'-[(Z)-(5-chloro-2-prop-2-enoxyphenyl)methylideneamino]-N-(2-fluorophenyl)oxamide?
The InChIKey is OWBZOSMWATWDGW-NHDPSOOVSA-N. The full InChI is InChI=1S/C18H15ClFN3O3/c1-2-9-26-16-8-7-13(19)10-12(16)11-21-23-18(25)17(24)22-15-6-4-3-5-14(15)20/h2-8,10-11H,1,9H2,(H,22,24)(H,23,25)/b21-11-.
What are the key properties of N'-[(Z)-(5-chloro-2-prop-2-enoxyphenyl)methylideneamino]-N-(2-fluorophenyl)oxamide?
N'-[(Z)-(5-chloro-2-prop-2-enoxyphenyl)methylideneamino]-N-(2-fluorophenyl)oxamide has a molecular weight of 375.79 g/mol, XLogP of 3.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-(5-chloro-2-prop-2-enoxyphenyl)methylideneamino]-N-(2-fluorophenyl)oxamide is sourced from PubChem (CID 8989282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).