N-(3-chloro-4-methylphenyl)-N'-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]oxamide

C21H18ClN3O3 — CID 8901141

IUPACN-(3-chloro-4-methylphenyl)-N'-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]oxamide
SMILESCOc1ccc2ccccc2c1/C=N\NC(=O)C(=O)Nc1ccc(C)c(Cl)c1
InChIInChI=1S/C21H18ClN3O3/c1-13-7-9-15(11-18(13)22)24-20(26)21(27)25-23-12-17-16-6-4-3-5-14(16)8-10-19(17)28-2/h3-12H,1-2H3,(H,24,26)(H,25,27)/b23-12-
InChIKeyHASWMXIPPATYFC-FMCGGJTJSA-N
MW395.85 g/mol
LogP3.90
Rot. Bonds4

About N-(3-chloro-4-methylphenyl)-N'-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]oxamide

N-(3-chloro-4-methylphenyl)-N'-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]oxamide (PubChem CID 8901141) has the molecular formula C21H18ClN3O3 and a molecular weight of 395.85 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-N'-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]oxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-N'-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]oxamide
PubChem CID8901141
Molecular FormulaC21H18ClN3O3
Molecular Weight395.85 g/mol
Exact Mass395.10
IUPAC NameN-(3-chloro-4-methylphenyl)-N'-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]oxamide
SMILESCOc1ccc2ccccc2c1/C=N\NC(=O)C(=O)Nc1ccc(C)c(Cl)c1
InChIInChI=1S/C21H18ClN3O3/c1-13-7-9-15(11-18(13)22)24-20(26)21(27)25-23-12-17-16-6-4-3-5-14(16)8-10-19(17)28-2/h3-12H,1-2H3,(H,24,26)(H,25,27)/b23-12-
InChIKeyHASWMXIPPATYFC-FMCGGJTJSA-N
XLogP3.90
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.85
LogP ≤ 53.90
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-(3,4-dimethylphenyl)-N'-[(Z)-(2-ethoxynaphthalen-1-yl)methylideneamino]oxamide
CID 8932085
[1-[(Z)-[[2-(3-methoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]naphthalen-2-yl] 2-chlorobenzoate
CID 6246547
[1-[(Z)-[[2-(3,4-dichloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]naphthalen-2-yl] 3-methylbenzoate
CID 6009518
N-[(2R)-butan-2-yl]-N'-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]oxamide
CID 8901324
2-chloro-N-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]benzamide
CID 5396822
[1-[[[2-(4-methylanilino)-2-oxoacetyl]hydrazinylidene]methyl]naphthalen-2-yl] 3,4-dimethoxybenzoate
CID 4680181
N'-[(Z)-(2-ethoxynaphthalen-1-yl)methylideneamino]-N-(4-methylphenyl)oxamide
CID 8932141
N-(3-chloro-4-methylphenyl)-N'-[[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methylideneamino]oxamide
CID 4086690
N-(3-chloro-4-methylphenyl)-N'-[(4-hydroxy-3-methoxyphenyl)methylideneamino]oxamide
CID 4596393
ethyl N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]carbamate
CID 6898993
N-[(2-methoxynaphthalen-1-yl)methylideneamino]-2-(2,4,6-trichlorophenoxy)acetamide
CID 2265655
N-(3-chloro-4-methylphenyl)-N'-[(Z)-(2-hydroxyphenyl)methylideneamino]oxamide
CID 136909047

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-N'-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]oxamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-N'-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]oxamide (CID 8901141) is N-(3-chloro-4-methylphenyl)-N'-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]oxamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-N'-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]oxamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-N'-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]oxamide is COc1ccc2ccccc2c1/C=N\NC(=O)C(=O)Nc1ccc(C)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-N'-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]oxamide?
The InChIKey is HASWMXIPPATYFC-FMCGGJTJSA-N. The full InChI is InChI=1S/C21H18ClN3O3/c1-13-7-9-15(11-18(13)22)24-20(26)21(27)25-23-12-17-16-6-4-3-5-14(16)8-10-19(17)28-2/h3-12H,1-2H3,(H,24,26)(H,25,27)/b23-12-.
What are the key properties of N-(3-chloro-4-methylphenyl)-N'-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]oxamide?
N-(3-chloro-4-methylphenyl)-N'-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]oxamide has a molecular weight of 395.85 g/mol, XLogP of 3.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-N'-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]oxamide is sourced from PubChem (CID 8901141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).