N'-[(4-chlorophenyl)methylideneamino]-N-naphthalen-2-yloxamide

C19H14ClN3O2 — CID 4178084

IUPACN'-[(4-chlorophenyl)methylideneamino]-N-naphthalen-2-yloxamide
SMILESO=C(NN=Cc1ccc(Cl)cc1)C(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C19H14ClN3O2/c20-16-8-5-13(6-9-16)12-21-23-19(25)18(24)22-17-10-7-14-3-1-2-4-15(14)11-17/h1-12H,(H,22,24)(H,23,25)
InChIKeyMORQNXKUDKQHJQ-UHFFFAOYSA-N
MW351.79 g/mol
LogP3.58
Rot. Bonds3

About N'-[(4-chlorophenyl)methylideneamino]-N-naphthalen-2-yloxamide

N'-[(4-chlorophenyl)methylideneamino]-N-naphthalen-2-yloxamide (PubChem CID 4178084) has the molecular formula C19H14ClN3O2 and a molecular weight of 351.79 g/mol. Its IUPAC name is N'-[(4-chlorophenyl)methylideneamino]-N-naphthalen-2-yloxamide.

Molecular Properties

Compound NameN'-[(4-chlorophenyl)methylideneamino]-N-naphthalen-2-yloxamide
PubChem CID4178084
Molecular FormulaC19H14ClN3O2
Molecular Weight351.79 g/mol
Exact Mass351.08
IUPAC NameN'-[(4-chlorophenyl)methylideneamino]-N-naphthalen-2-yloxamide
SMILESO=C(NN=Cc1ccc(Cl)cc1)C(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C19H14ClN3O2/c20-16-8-5-13(6-9-16)12-21-23-19(25)18(24)22-17-10-7-14-3-1-2-4-15(14)11-17/h1-12H,(H,22,24)(H,23,25)
InChIKeyMORQNXKUDKQHJQ-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'-[(E)-naphthalen-2-ylmethylideneamino]-N-pyridin-4-yloxamide
CID 154631892
N-(4-bromophenyl)-N'-[(Z)-(4-chlorophenyl)methylideneamino]oxamide
CID 6146387
N-(3-chlorophenyl)-N'-[(4-hydroxyphenyl)methylideneamino]oxamide
CID 4245956
N-(3-chlorophenyl)-N'-[(Z)-(4-hydroxyphenyl)methylideneamino]oxamide
CID 136884193
[4-[(E)-[(2-anilino-2-oxoacetyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
CID 51060761
N'-[(E)-naphthalen-2-ylmethylideneamino]-N-pyridin-3-yloxamide
CID 154631889
4-[(Z)-[[2-(3-chloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]benzoic acid
CID 6042050
[4-[(E)-[[2-(3,4-dichloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
CID 51060935
N'-[[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(3,4-dichlorophenyl)oxamide
CID 3856543
N-(3-chloro-4-fluorophenyl)-N'-[(E)-(3,4-dichlorophenyl)methylideneamino]oxamide
CID 19658573
N-(3,4-dichlorophenyl)-N'-[(4-fluorophenyl)methylideneamino]oxamide
CID 2063705
N-(4-chlorophenyl)-N'-[(Z)-[4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 94832736

Frequently Asked Questions

What is the IUPAC name of N'-[(4-chlorophenyl)methylideneamino]-N-naphthalen-2-yloxamide?
The IUPAC name of N'-[(4-chlorophenyl)methylideneamino]-N-naphthalen-2-yloxamide (CID 4178084) is N'-[(4-chlorophenyl)methylideneamino]-N-naphthalen-2-yloxamide.
What is the SMILES notation for N'-[(4-chlorophenyl)methylideneamino]-N-naphthalen-2-yloxamide?
The canonical SMILES for N'-[(4-chlorophenyl)methylideneamino]-N-naphthalen-2-yloxamide is O=C(NN=Cc1ccc(Cl)cc1)C(=O)Nc1ccc2ccccc2c1.
What is the InChIKey of N'-[(4-chlorophenyl)methylideneamino]-N-naphthalen-2-yloxamide?
The InChIKey is MORQNXKUDKQHJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN3O2/c20-16-8-5-13(6-9-16)12-21-23-19(25)18(24)22-17-10-7-14-3-1-2-4-15(14)11-17/h1-12H,(H,22,24)(H,23,25).
What are the key properties of N'-[(4-chlorophenyl)methylideneamino]-N-naphthalen-2-yloxamide?
N'-[(4-chlorophenyl)methylideneamino]-N-naphthalen-2-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'-[(4-chlorophenyl)methylideneamino]-N-naphthalen-2-yloxamide is sourced from PubChem (CID 4178084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).