N'-[(Z)-(3-chloro-4-ethoxyphenyl)methylideneamino]-N-(4-fluorophenyl)oxamide

C17H15ClFN3O3 — CID 8931675

IUPACN'-[(Z)-(3-chloro-4-ethoxyphenyl)methylideneamino]-N-(4-fluorophenyl)oxamide
SMILESCCOc1ccc(/C=N\NC(=O)C(=O)Nc2ccc(F)cc2)cc1Cl
InChIInChI=1S/C17H15ClFN3O3/c1-2-25-15-8-3-11(9-14(15)18)10-20-22-17(24)16(23)21-13-6-4-12(19)5-7-13/h3-10H,2H2,1H3,(H,21,23)(H,22,24)/b20-10-
InChIKeyKCOREUCEEWLMPQ-JMIUGGIZSA-N
MW363.78 g/mol
LogP2.97
Rot. Bonds5

About N'-[(Z)-(3-chloro-4-ethoxyphenyl)methylideneamino]-N-(4-fluorophenyl)oxamide

N'-[(Z)-(3-chloro-4-ethoxyphenyl)methylideneamino]-N-(4-fluorophenyl)oxamide (PubChem CID 8931675) has the molecular formula C17H15ClFN3O3 and a molecular weight of 363.78 g/mol. Its IUPAC name is N'-[(Z)-(3-chloro-4-ethoxyphenyl)methylideneamino]-N-(4-fluorophenyl)oxamide.

Molecular Properties

Compound NameN'-[(Z)-(3-chloro-4-ethoxyphenyl)methylideneamino]-N-(4-fluorophenyl)oxamide
PubChem CID8931675
Molecular FormulaC17H15ClFN3O3
Molecular Weight363.78 g/mol
Exact Mass363.08
IUPAC NameN'-[(Z)-(3-chloro-4-ethoxyphenyl)methylideneamino]-N-(4-fluorophenyl)oxamide
SMILESCCOc1ccc(/C=N\NC(=O)C(=O)Nc2ccc(F)cc2)cc1Cl
InChIInChI=1S/C17H15ClFN3O3/c1-2-25-15-8-3-11(9-14(15)18)10-20-22-17(24)16(23)21-13-6-4-12(19)5-7-13/h3-10H,2H2,1H3,(H,21,23)(H,22,24)/b20-10-
InChIKeyKCOREUCEEWLMPQ-JMIUGGIZSA-N
XLogP2.97
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.78
LogP ≤ 52.97
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[(Z)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-N-(4-fluorophenyl)oxamide
CID 137079049
N-(4-butoxyphenyl)-N'-[(Z)-(3-chloro-4-ethoxyphenyl)methylideneamino]oxamide
CID 8931666
N'-[(Z)-[3-chloro-4-[2-(4-ethylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-fluorophenyl)oxamide
CID 126266403
N'-[(Z)-[3-ethoxy-4-[2-(4-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-fluorophenyl)oxamide
CID 126270834
N'-[(Z)-(3-chloro-4-ethoxyphenyl)methylideneamino]-N-(2-methoxyphenyl)oxamide
CID 8931569
N'-[(E)-[3-[(2-chlorophenoxy)methyl]-4-methoxyphenyl]methylideneamino]-N-(4-fluorophenyl)oxamide
CID 19659029
N'-[(E)-[4-[(2-chloro-4-fluorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-N-(4-methoxyphenyl)oxamide
CID 19660161
N'-[(Z)-(3-chloro-4-ethoxyphenyl)methylideneamino]-N-cyclopropyloxamide
CID 8931670
N'-[(Z)-[3-chloro-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]phenyl]methylideneamino]-N-(4-fluorophenyl)oxamide
CID 126158914
N'-[(Z)-(3-chloro-4-methoxyphenyl)methylideneamino]-N-(4-propoxyphenyl)oxamide
CID 8900407
2-[2-chloro-4-[(Z)-[[2-(4-methoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 8989860
N-(4-fluorophenyl)-N'-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]oxamide
CID 4171163

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-(3-chloro-4-ethoxyphenyl)methylideneamino]-N-(4-fluorophenyl)oxamide?
The IUPAC name of N'-[(Z)-(3-chloro-4-ethoxyphenyl)methylideneamino]-N-(4-fluorophenyl)oxamide (CID 8931675) is N'-[(Z)-(3-chloro-4-ethoxyphenyl)methylideneamino]-N-(4-fluorophenyl)oxamide.
What is the SMILES notation for N'-[(Z)-(3-chloro-4-ethoxyphenyl)methylideneamino]-N-(4-fluorophenyl)oxamide?
The canonical SMILES for N'-[(Z)-(3-chloro-4-ethoxyphenyl)methylideneamino]-N-(4-fluorophenyl)oxamide is CCOc1ccc(/C=N\NC(=O)C(=O)Nc2ccc(F)cc2)cc1Cl.
What is the InChIKey of N'-[(Z)-(3-chloro-4-ethoxyphenyl)methylideneamino]-N-(4-fluorophenyl)oxamide?
The InChIKey is KCOREUCEEWLMPQ-JMIUGGIZSA-N. The full InChI is InChI=1S/C17H15ClFN3O3/c1-2-25-15-8-3-11(9-14(15)18)10-20-22-17(24)16(23)21-13-6-4-12(19)5-7-13/h3-10H,2H2,1H3,(H,21,23)(H,22,24)/b20-10-.
What are the key properties of N'-[(Z)-(3-chloro-4-ethoxyphenyl)methylideneamino]-N-(4-fluorophenyl)oxamide?
N'-[(Z)-(3-chloro-4-ethoxyphenyl)methylideneamino]-N-(4-fluorophenyl)oxamide has a molecular weight of 363.78 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-(3-chloro-4-ethoxyphenyl)methylideneamino]-N-(4-fluorophenyl)oxamide is sourced from PubChem (CID 8931675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).