N'-[(E)-(3-fluorophenyl)methylideneamino]-N-naphthalen-1-yloxamide

C19H14FN3O2 — CID 45055016

IUPACN'-[(E)-(3-fluorophenyl)methylideneamino]-N-naphthalen-1-yloxamide
SMILESO=C(N/N=C/c1cccc(F)c1)C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C19H14FN3O2/c20-15-8-3-5-13(11-15)12-21-23-19(25)18(24)22-17-10-4-7-14-6-1-2-9-16(14)17/h1-12H,(H,22,24)(H,23,25)/b21-12+
InChIKeyXPZYMQJSGLLPAP-CIAFOILYSA-N
MW335.34 g/mol
LogP3.07
Rot. Bonds3

About N'-[(E)-(3-fluorophenyl)methylideneamino]-N-naphthalen-1-yloxamide

N'-[(E)-(3-fluorophenyl)methylideneamino]-N-naphthalen-1-yloxamide (PubChem CID 45055016) has the molecular formula C19H14FN3O2 and a molecular weight of 335.34 g/mol. Its IUPAC name is N'-[(E)-(3-fluorophenyl)methylideneamino]-N-naphthalen-1-yloxamide.

Molecular Properties

Compound NameN'-[(E)-(3-fluorophenyl)methylideneamino]-N-naphthalen-1-yloxamide
PubChem CID45055016
Molecular FormulaC19H14FN3O2
Molecular Weight335.34 g/mol
Exact Mass335.11
IUPAC NameN'-[(E)-(3-fluorophenyl)methylideneamino]-N-naphthalen-1-yloxamide
SMILESO=C(N/N=C/c1cccc(F)c1)C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C19H14FN3O2/c20-15-8-3-5-13(11-15)12-21-23-19(25)18(24)22-17-10-4-7-14-6-1-2-9-16(14)17/h1-12H,(H,22,24)(H,23,25)/b21-12+
InChIKeyXPZYMQJSGLLPAP-CIAFOILYSA-N
XLogP3.07
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.34
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'-[(3-chlorophenyl)methylideneamino]-N-naphthalen-1-yloxamide
CID 75087504
[3-[[[2-(naphthalen-1-ylamino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
CID 5011685
N-[(Z)-(3-fluorophenyl)methylideneamino]-1-hydroxynaphthalene-2-carboxamide
CID 6019016
N-naphthalen-1-yl-N'-[(Z)-thiophen-2-ylmethylideneamino]oxamide
CID 5373375
N'-[(Z)-(2,4-dichlorophenyl)methylideneamino]-N-naphthalen-1-yloxamide
CID 6286421
N'-[(Z)-(4-methoxy-3-nitrophenyl)methylideneamino]-N-naphthalen-1-yloxamide
CID 6172896
N'-[(2-methyl-3-phenylprop-2-enylidene)amino]-N-naphthalen-1-yloxamide
CID 3350985
N'-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]-N-naphthalen-1-yloxamide
CID 45054176
N'-[(3-ethoxy-4-prop-2-enoxyphenyl)methylideneamino]-N-naphthalen-1-yloxamide
CID 4269018
N-(2-fluorophenyl)-N'-[(Z)-(3-methoxyphenyl)methylideneamino]oxamide
CID 6174024
N-(2-chlorophenyl)-N'-[(E)-(3-chlorophenyl)methylideneamino]oxamide
CID 6871246
N-(2-ethylphenyl)-N'-[(4-fluorophenyl)methylideneamino]oxamide
CID 4642668

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-(3-fluorophenyl)methylideneamino]-N-naphthalen-1-yloxamide?
The IUPAC name of N'-[(E)-(3-fluorophenyl)methylideneamino]-N-naphthalen-1-yloxamide (CID 45055016) is N'-[(E)-(3-fluorophenyl)methylideneamino]-N-naphthalen-1-yloxamide.
What is the SMILES notation for N'-[(E)-(3-fluorophenyl)methylideneamino]-N-naphthalen-1-yloxamide?
The canonical SMILES for N'-[(E)-(3-fluorophenyl)methylideneamino]-N-naphthalen-1-yloxamide is O=C(N/N=C/c1cccc(F)c1)C(=O)Nc1cccc2ccccc12.
What is the InChIKey of N'-[(E)-(3-fluorophenyl)methylideneamino]-N-naphthalen-1-yloxamide?
The InChIKey is XPZYMQJSGLLPAP-CIAFOILYSA-N. The full InChI is InChI=1S/C19H14FN3O2/c20-15-8-3-5-13(11-15)12-21-23-19(25)18(24)22-17-10-4-7-14-6-1-2-9-16(14)17/h1-12H,(H,22,24)(H,23,25)/b21-12+.
What are the key properties of N'-[(E)-(3-fluorophenyl)methylideneamino]-N-naphthalen-1-yloxamide?
N'-[(E)-(3-fluorophenyl)methylideneamino]-N-naphthalen-1-yloxamide has a molecular weight of 335.34 g/mol, XLogP of 3.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-(3-fluorophenyl)methylideneamino]-N-naphthalen-1-yloxamide is sourced from PubChem (CID 45055016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).