N'-[(Z)-(2-ethoxynaphthalen-1-yl)methylideneamino]-N-(2-fluorophenyl)oxamide

C21H18FN3O3 — CID 8932160

IUPACN'-[(Z)-(2-ethoxynaphthalen-1-yl)methylideneamino]-N-(2-fluorophenyl)oxamide
SMILESCCOc1ccc2ccccc2c1/C=N\NC(=O)C(=O)Nc1ccccc1F
InChIInChI=1S/C21H18FN3O3/c1-2-28-19-12-11-14-7-3-4-8-15(14)16(19)13-23-25-21(27)20(26)24-18-10-6-5-9-17(18)22/h3-13H,2H2,1H3,(H,24,26)(H,25,27)/b23-13-
InChIKeyIMQIUMSCCDCQFK-QRVIBDJDSA-N
MW379.39 g/mol
LogP3.47
Rot. Bonds5

About N'-[(Z)-(2-ethoxynaphthalen-1-yl)methylideneamino]-N-(2-fluorophenyl)oxamide

N'-[(Z)-(2-ethoxynaphthalen-1-yl)methylideneamino]-N-(2-fluorophenyl)oxamide (PubChem CID 8932160) has the molecular formula C21H18FN3O3 and a molecular weight of 379.39 g/mol. Its IUPAC name is N'-[(Z)-(2-ethoxynaphthalen-1-yl)methylideneamino]-N-(2-fluorophenyl)oxamide.

Molecular Properties

Compound NameN'-[(Z)-(2-ethoxynaphthalen-1-yl)methylideneamino]-N-(2-fluorophenyl)oxamide
PubChem CID8932160
Molecular FormulaC21H18FN3O3
Molecular Weight379.39 g/mol
Exact Mass379.13
IUPAC NameN'-[(Z)-(2-ethoxynaphthalen-1-yl)methylideneamino]-N-(2-fluorophenyl)oxamide
SMILESCCOc1ccc2ccccc2c1/C=N\NC(=O)C(=O)Nc1ccccc1F
InChIInChI=1S/C21H18FN3O3/c1-2-28-19-12-11-14-7-3-4-8-15(14)16(19)13-23-25-21(27)20(26)24-18-10-6-5-9-17(18)22/h3-13H,2H2,1H3,(H,24,26)(H,25,27)/b23-13-
InChIKeyIMQIUMSCCDCQFK-QRVIBDJDSA-N
XLogP3.47
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.39
LogP ≤ 53.47
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-fluorophenyl)-N'-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]oxamide
CID 136715554
N'-[(Z)-(2-ethoxynaphthalen-1-yl)methylideneamino]-N-(4-methylphenyl)oxamide
CID 8932141
N-(3,4-dimethylphenyl)-N'-[(Z)-(2-ethoxynaphthalen-1-yl)methylideneamino]oxamide
CID 8932085
1-[(2-ethoxynaphthalen-1-yl)methylideneamino]-3-(2-methylphenyl)urea
CID 926829
N'-[(Z)-(2-ethoxynaphthalen-1-yl)methylideneamino]-N-(2-methylpropyl)oxamide
CID 8932118
N-(2-fluorophenyl)-N'-[(2-phenylmethoxynaphthalen-1-yl)methylideneamino]butanediamide
CID 3911519
N'-[(Z)-(2-ethoxynaphthalen-1-yl)methylideneamino]-N-[(4-methylphenyl)methyl]oxamide
CID 8932181
N'-[(E)-[3-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methylideneamino]-N-(2-fluorophenyl)oxamide
CID 19658323
N-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-N'-(2-fluorophenyl)-2-methylpropanediamide
CID 3998585
N-(2,3-dimethylphenyl)-N'-[(2-ethoxynaphthalen-1-yl)methylideneamino]butanediamide
CID 4988186
N-(2-fluorophenyl)-N'-[(Z)-(2-propoxyphenyl)methylideneamino]oxamide
CID 8988803
2-(azepan-1-yl)-N-[(2-ethoxynaphthalen-1-yl)methylideneamino]-2-oxoacetamide
CID 3737629

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-(2-ethoxynaphthalen-1-yl)methylideneamino]-N-(2-fluorophenyl)oxamide?
The IUPAC name of N'-[(Z)-(2-ethoxynaphthalen-1-yl)methylideneamino]-N-(2-fluorophenyl)oxamide (CID 8932160) is N'-[(Z)-(2-ethoxynaphthalen-1-yl)methylideneamino]-N-(2-fluorophenyl)oxamide.
What is the SMILES notation for N'-[(Z)-(2-ethoxynaphthalen-1-yl)methylideneamino]-N-(2-fluorophenyl)oxamide?
The canonical SMILES for N'-[(Z)-(2-ethoxynaphthalen-1-yl)methylideneamino]-N-(2-fluorophenyl)oxamide is CCOc1ccc2ccccc2c1/C=N\NC(=O)C(=O)Nc1ccccc1F.
What is the InChIKey of N'-[(Z)-(2-ethoxynaphthalen-1-yl)methylideneamino]-N-(2-fluorophenyl)oxamide?
The InChIKey is IMQIUMSCCDCQFK-QRVIBDJDSA-N. The full InChI is InChI=1S/C21H18FN3O3/c1-2-28-19-12-11-14-7-3-4-8-15(14)16(19)13-23-25-21(27)20(26)24-18-10-6-5-9-17(18)22/h3-13H,2H2,1H3,(H,24,26)(H,25,27)/b23-13-.
What are the key properties of N'-[(Z)-(2-ethoxynaphthalen-1-yl)methylideneamino]-N-(2-fluorophenyl)oxamide?
N'-[(Z)-(2-ethoxynaphthalen-1-yl)methylideneamino]-N-(2-fluorophenyl)oxamide has a molecular weight of 379.39 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-(2-ethoxynaphthalen-1-yl)methylideneamino]-N-(2-fluorophenyl)oxamide is sourced from PubChem (CID 8932160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).