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

C19H14ClN3O2 — CID 75087504

IUPACN'-[(3-chlorophenyl)methylideneamino]-N-naphthalen-1-yloxamide
SMILESO=C(NN=Cc1cccc(Cl)c1)C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C19H14ClN3O2/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)
InChIKeyGSKOHTUDMUQUAE-UHFFFAOYSA-N
MW351.79 g/mol
LogP3.58
Rot. Bonds3

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

N'-[(3-chlorophenyl)methylideneamino]-N-naphthalen-1-yloxamide (PubChem CID 75087504) has the molecular formula C19H14ClN3O2 and a molecular weight of 351.79 g/mol. Its IUPAC name is N'-[(3-chlorophenyl)methylideneamino]-N-naphthalen-1-yloxamide.

Molecular Properties

Compound NameN'-[(3-chlorophenyl)methylideneamino]-N-naphthalen-1-yloxamide
PubChem CID75087504
Molecular FormulaC19H14ClN3O2
Molecular Weight351.79 g/mol
Exact Mass351.08
IUPAC NameN'-[(3-chlorophenyl)methylideneamino]-N-naphthalen-1-yloxamide
SMILESO=C(NN=Cc1cccc(Cl)c1)C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C19H14ClN3O2/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)
InChIKeyGSKOHTUDMUQUAE-UHFFFAOYSA-N
XLogP3.58
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.79
LogP ≤ 53.58
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-(2-chlorophenyl)-N'-[(E)-(3-chlorophenyl)methylideneamino]oxamide
CID 6871246
N'-[(E)-(3-fluorophenyl)methylideneamino]-N-naphthalen-1-yloxamide
CID 45055016
N'-[(Z)-(2,4-dichlorophenyl)methylideneamino]-N-naphthalen-1-yloxamide
CID 6286421
[3-[[[2-(naphthalen-1-ylamino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
CID 5011685
N-(2,5-dichlorophenyl)-N'-[(E)-[3-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]oxamide
CID 19660101
N,N'-bis[(3-chlorophenyl)methylideneamino]propanediamide
CID 3386676
N-naphthalen-1-yl-N'-[(Z)-thiophen-2-ylmethylideneamino]oxamide
CID 5373375
N-[(Z)-(3-chlorophenyl)methylideneamino]-2-methylnaphthalene-1-carboxamide
CID 110524954
N'-[(Z)-[1-(2,4-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-N-naphthalen-1-yloxamide
CID 94837169
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

Frequently Asked Questions

What is the IUPAC name of N'-[(3-chlorophenyl)methylideneamino]-N-naphthalen-1-yloxamide?
The IUPAC name of N'-[(3-chlorophenyl)methylideneamino]-N-naphthalen-1-yloxamide (CID 75087504) is N'-[(3-chlorophenyl)methylideneamino]-N-naphthalen-1-yloxamide.
What is the SMILES notation for N'-[(3-chlorophenyl)methylideneamino]-N-naphthalen-1-yloxamide?
The canonical SMILES for N'-[(3-chlorophenyl)methylideneamino]-N-naphthalen-1-yloxamide is O=C(NN=Cc1cccc(Cl)c1)C(=O)Nc1cccc2ccccc12.
What is the InChIKey of N'-[(3-chlorophenyl)methylideneamino]-N-naphthalen-1-yloxamide?
The InChIKey is GSKOHTUDMUQUAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN3O2/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).
What are the key properties of N'-[(3-chlorophenyl)methylideneamino]-N-naphthalen-1-yloxamide?
N'-[(3-chlorophenyl)methylideneamino]-N-naphthalen-1-yloxamide has a molecular weight of 351.79 g/mol, XLogP of 3.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3-chlorophenyl)methylideneamino]-N-naphthalen-1-yloxamide is sourced from PubChem (CID 75087504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).