N-(2-fluorophenyl)-N'-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]oxamide

C18H18FN3O5 — CID 6877596

IUPACN-(2-fluorophenyl)-N'-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]oxamide
SMILESCOc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2F)cc(OC)c1OC
InChIInChI=1S/C18H18FN3O5/c1-25-14-8-11(9-15(26-2)16(14)27-3)10-20-22-18(24)17(23)21-13-7-5-4-6-12(13)19/h4-10H,1-3H3,(H,21,23)(H,22,24)/b20-10+
InChIKeyKQKRUHBQQXXKGA-KEBDBYFISA-N
MW375.36 g/mol
LogP1.94
Rot. Bonds6

About N-(2-fluorophenyl)-N'-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]oxamide

N-(2-fluorophenyl)-N'-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]oxamide (PubChem CID 6877596) has the molecular formula C18H18FN3O5 and a molecular weight of 375.36 g/mol. Its IUPAC name is N-(2-fluorophenyl)-N'-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]oxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-N'-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]oxamide
PubChem CID6877596
Molecular FormulaC18H18FN3O5
Molecular Weight375.36 g/mol
Exact Mass375.12
IUPAC NameN-(2-fluorophenyl)-N'-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]oxamide
SMILESCOc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2F)cc(OC)c1OC
InChIInChI=1S/C18H18FN3O5/c1-25-14-8-11(9-15(26-2)16(14)27-3)10-20-22-18(24)17(23)21-13-7-5-4-6-12(13)19/h4-10H,1-3H3,(H,21,23)(H,22,24)/b20-10+
InChIKeyKQKRUHBQQXXKGA-KEBDBYFISA-N
XLogP1.94
TPSA98.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.36
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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'}

Analyze N-(2-fluorophenyl)-N'-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]oxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-N'-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]oxamide?
The IUPAC name of N-(2-fluorophenyl)-N'-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]oxamide (CID 6877596) is N-(2-fluorophenyl)-N'-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]oxamide.
What is the SMILES notation for N-(2-fluorophenyl)-N'-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]oxamide?
The canonical SMILES for N-(2-fluorophenyl)-N'-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]oxamide is COc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2F)cc(OC)c1OC.
What is the InChIKey of N-(2-fluorophenyl)-N'-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]oxamide?
The InChIKey is KQKRUHBQQXXKGA-KEBDBYFISA-N. The full InChI is InChI=1S/C18H18FN3O5/c1-25-14-8-11(9-15(26-2)16(14)27-3)10-20-22-18(24)17(23)21-13-7-5-4-6-12(13)19/h4-10H,1-3H3,(H,21,23)(H,22,24)/b20-10+.
What are the key properties of N-(2-fluorophenyl)-N'-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]oxamide?
N-(2-fluorophenyl)-N'-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]oxamide has a molecular weight of 375.36 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-N'-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]oxamide is sourced from PubChem (CID 6877596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).