N-(3-chloro-2-methylphenyl)-N'-[(4-chlorophenyl)methylideneamino]oxamide

C16H13Cl2N3O2 — CID 3686898

IUPACN-(3-chloro-2-methylphenyl)-N'-[(4-chlorophenyl)methylideneamino]oxamide
SMILESCc1c(Cl)cccc1NC(=O)C(=O)NN=Cc1ccc(Cl)cc1
InChIInChI=1S/C16H13Cl2N3O2/c1-10-13(18)3-2-4-14(10)20-15(22)16(23)21-19-9-11-5-7-12(17)8-6-11/h2-9H,1H3,(H,20,22)(H,21,23)
InChIKeyXHMWPARTIBXYMY-UHFFFAOYSA-N
MW350.21 g/mol
LogP3.39
Rot. Bonds3

About N-(3-chloro-2-methylphenyl)-N'-[(4-chlorophenyl)methylideneamino]oxamide

N-(3-chloro-2-methylphenyl)-N'-[(4-chlorophenyl)methylideneamino]oxamide (PubChem CID 3686898) has the molecular formula C16H13Cl2N3O2 and a molecular weight of 350.21 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-N'-[(4-chlorophenyl)methylideneamino]oxamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-N'-[(4-chlorophenyl)methylideneamino]oxamide
PubChem CID3686898
Molecular FormulaC16H13Cl2N3O2
Molecular Weight350.21 g/mol
Exact Mass349.04
IUPAC NameN-(3-chloro-2-methylphenyl)-N'-[(4-chlorophenyl)methylideneamino]oxamide
SMILESCc1c(Cl)cccc1NC(=O)C(=O)NN=Cc1ccc(Cl)cc1
InChIInChI=1S/C16H13Cl2N3O2/c1-10-13(18)3-2-4-14(10)20-15(22)16(23)21-19-9-11-5-7-12(17)8-6-11/h2-9H,1H3,(H,20,22)(H,21,23)
InChIKeyXHMWPARTIBXYMY-UHFFFAOYSA-N
XLogP3.39
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.21
LogP ≤ 53.39
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-chloro-2-methylphenyl)-N'-[(Z)-(4-nitrophenyl)methylideneamino]oxamide
CID 6030367
[4-[(Z)-[[2-(3-chloro-2-methylanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
CID 6164888
N-(3-chloro-2-methylphenyl)-N'-[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]oxamide
CID 4608595
1-(3-chloro-2-methylphenyl)-3-[(Z)-(4-hydroxyphenyl)methylideneamino]urea
CID 135545371
[4-[[[2-(3-chloro-2-methylanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 2-bromobenzoate
CID 4988124
1-(3-chloro-2-methylphenyl)-3-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]urea
CID 6479794
N'-[(Z)-[4-[2-(3-chloro-2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-methoxyphenyl)oxamide
CID 126160920
N-(2,3-dichlorophenyl)-N'-[(Z)-(4-propan-2-ylphenyl)methylideneamino]oxamide
CID 92652543
N-(3-chloro-2-methylphenyl)-N'-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]oxamide
CID 136891004
N-(2-chlorophenyl)-N'-[(E)-(4-propan-2-ylphenyl)methylideneamino]oxamide
CID 46741746
N-(2,5-dichlorophenyl)-N'-[(4-methylphenyl)methylideneamino]oxamide
CID 3500417
N-(3-chloro-2-methylphenyl)-N'-[[3-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]oxamide
CID 4105886

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-N'-[(4-chlorophenyl)methylideneamino]oxamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-N'-[(4-chlorophenyl)methylideneamino]oxamide (CID 3686898) is N-(3-chloro-2-methylphenyl)-N'-[(4-chlorophenyl)methylideneamino]oxamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-N'-[(4-chlorophenyl)methylideneamino]oxamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-N'-[(4-chlorophenyl)methylideneamino]oxamide is Cc1c(Cl)cccc1NC(=O)C(=O)NN=Cc1ccc(Cl)cc1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-N'-[(4-chlorophenyl)methylideneamino]oxamide?
The InChIKey is XHMWPARTIBXYMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2N3O2/c1-10-13(18)3-2-4-14(10)20-15(22)16(23)21-19-9-11-5-7-12(17)8-6-11/h2-9H,1H3,(H,20,22)(H,21,23).
What are the key properties of N-(3-chloro-2-methylphenyl)-N'-[(4-chlorophenyl)methylideneamino]oxamide?
N-(3-chloro-2-methylphenyl)-N'-[(4-chlorophenyl)methylideneamino]oxamide has a molecular weight of 350.21 g/mol, XLogP of 3.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-N'-[(4-chlorophenyl)methylideneamino]oxamide is sourced from PubChem (CID 3686898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).