N-(2-fluorophenyl)-N'-[(Z)-(2-propoxyphenyl)methylideneamino]oxamide

C18H18FN3O3 — CID 8988803

IUPACN-(2-fluorophenyl)-N'-[(Z)-(2-propoxyphenyl)methylideneamino]oxamide
SMILESCCCOc1ccccc1/C=N\NC(=O)C(=O)Nc1ccccc1F
InChIInChI=1S/C18H18FN3O3/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/h3-10,12H,2,11H2,1H3,(H,21,23)(H,22,24)/b20-12-
InChIKeyFLARYNLCMMEETB-NDENLUEZSA-N
MW343.36 g/mol
LogP2.70
Rot. Bonds6

About N-(2-fluorophenyl)-N'-[(Z)-(2-propoxyphenyl)methylideneamino]oxamide

N-(2-fluorophenyl)-N'-[(Z)-(2-propoxyphenyl)methylideneamino]oxamide (PubChem CID 8988803) has the molecular formula C18H18FN3O3 and a molecular weight of 343.36 g/mol. Its IUPAC name is N-(2-fluorophenyl)-N'-[(Z)-(2-propoxyphenyl)methylideneamino]oxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-N'-[(Z)-(2-propoxyphenyl)methylideneamino]oxamide
PubChem CID8988803
Molecular FormulaC18H18FN3O3
Molecular Weight343.36 g/mol
Exact Mass343.13
IUPAC NameN-(2-fluorophenyl)-N'-[(Z)-(2-propoxyphenyl)methylideneamino]oxamide
SMILESCCCOc1ccccc1/C=N\NC(=O)C(=O)Nc1ccccc1F
InChIInChI=1S/C18H18FN3O3/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/h3-10,12H,2,11H2,1H3,(H,21,23)(H,22,24)/b20-12-
InChIKeyFLARYNLCMMEETB-NDENLUEZSA-N
XLogP2.70
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.36
LogP ≤ 52.70
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-(2-ethoxyphenyl)-N'-[(Z)-(2-propoxyphenyl)methylideneamino]oxamide
CID 8988821
N-(2-fluorophenyl)-N'-[(Z)-[2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]oxamide
CID 8930437
N'-[(2-butoxyphenyl)methylideneamino]-N-(2-fluorophenyl)propanediamide
CID 5126962
N'-[(Z)-[2-[2-(2-ethylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-fluorophenyl)oxamide
CID 126266532
N-(2-fluorophenyl)-N'-[(Z)-[2-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 126276514
N-(4-ethylphenyl)-N'-[(Z)-(2-propoxyphenyl)methylideneamino]oxamide
CID 8988796
N-(2,6-diethylphenyl)-N'-[(Z)-(2-propoxyphenyl)methylideneamino]oxamide
CID 8988802
N-(2-fluorophenyl)-N'-[(Z)-(2-methylphenyl)methylideneamino]oxamide
CID 8898803
1,3-bis[(E)-(2-propoxyphenyl)methylideneamino]urea
CID 5332460
N-[(2R)-butan-2-yl]-N'-[(Z)-(2-propoxyphenyl)methylideneamino]oxamide
CID 8988811
2-[2-[(Z)-[[2-(2-ethoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]acetate
CID 8989610
N-(2-methoxyphenyl)-N'-[(2-methoxyphenyl)methylideneamino]oxamide
CID 2250526

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-N'-[(Z)-(2-propoxyphenyl)methylideneamino]oxamide?
The IUPAC name of N-(2-fluorophenyl)-N'-[(Z)-(2-propoxyphenyl)methylideneamino]oxamide (CID 8988803) is N-(2-fluorophenyl)-N'-[(Z)-(2-propoxyphenyl)methylideneamino]oxamide.
What is the SMILES notation for N-(2-fluorophenyl)-N'-[(Z)-(2-propoxyphenyl)methylideneamino]oxamide?
The canonical SMILES for N-(2-fluorophenyl)-N'-[(Z)-(2-propoxyphenyl)methylideneamino]oxamide is CCCOc1ccccc1/C=N\NC(=O)C(=O)Nc1ccccc1F.
What is the InChIKey of N-(2-fluorophenyl)-N'-[(Z)-(2-propoxyphenyl)methylideneamino]oxamide?
The InChIKey is FLARYNLCMMEETB-NDENLUEZSA-N. The full InChI is InChI=1S/C18H18FN3O3/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/h3-10,12H,2,11H2,1H3,(H,21,23)(H,22,24)/b20-12-.
What are the key properties of N-(2-fluorophenyl)-N'-[(Z)-(2-propoxyphenyl)methylideneamino]oxamide?
N-(2-fluorophenyl)-N'-[(Z)-(2-propoxyphenyl)methylideneamino]oxamide has a molecular weight of 343.36 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-N'-[(Z)-(2-propoxyphenyl)methylideneamino]oxamide is sourced from PubChem (CID 8988803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).