N-(5-chloro-2-methylphenyl)-N'-[(Z)-hexan-2-ylideneamino]oxamide

C15H20ClN3O2 — CID 94846566

IUPACN-(5-chloro-2-methylphenyl)-N'-[(Z)-hexan-2-ylideneamino]oxamide
SMILESCCCC/C(C)=N\NC(=O)C(=O)Nc1cc(Cl)ccc1C
InChIInChI=1S/C15H20ClN3O2/c1-4-5-6-11(3)18-19-15(21)14(20)17-13-9-12(16)8-7-10(13)2/h7-9H,4-6H2,1-3H3,(H,17,20)(H,19,21)/b18-11-
InChIKeyJLYYEZIMCSBBHL-WQRHYEAKSA-N
MW309.80 g/mol
LogP3.27
Rot. Bonds5

About N-(5-chloro-2-methylphenyl)-N'-[(Z)-hexan-2-ylideneamino]oxamide

N-(5-chloro-2-methylphenyl)-N'-[(Z)-hexan-2-ylideneamino]oxamide (PubChem CID 94846566) has the molecular formula C15H20ClN3O2 and a molecular weight of 309.80 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-N'-[(Z)-hexan-2-ylideneamino]oxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-N'-[(Z)-hexan-2-ylideneamino]oxamide
PubChem CID94846566
Molecular FormulaC15H20ClN3O2
Molecular Weight309.80 g/mol
Exact Mass309.12
IUPAC NameN-(5-chloro-2-methylphenyl)-N'-[(Z)-hexan-2-ylideneamino]oxamide
SMILESCCCC/C(C)=N\NC(=O)C(=O)Nc1cc(Cl)ccc1C
InChIInChI=1S/C15H20ClN3O2/c1-4-5-6-11(3)18-19-15(21)14(20)17-13-9-12(16)8-7-10(13)2/h7-9H,4-6H2,1-3H3,(H,17,20)(H,19,21)/b18-11-
InChIKeyJLYYEZIMCSBBHL-WQRHYEAKSA-N
XLogP3.27
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 53.27
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'-[(Z)-[4-(5-chloro-2-methylanilino)-4-oxobutan-2-ylidene]amino]-N-(2-methoxyethyl)oxamide
CID 6183371
N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]pentanamide
CID 112997994
N-(5-chloro-2-methylphenyl)decanamide
CID 5144260
N-[(5-chloro-2-methylphenyl)carbamothioyl]pentanamide
CID 19187754
2-chloro-N-(5-chloro-2-methylphenyl)prop-2-enamide
CID 131001051
N-(4-chloro-2-methylphenyl)-N'-(propan-2-ylideneamino)oxamide
CID 3593007
N'-(5-chloro-2-methylphenyl)-N-[3-(diethylamino)propyl]oxamide
CID 108511778
N-[(E)-hexan-2-ylideneamino]-3,4-dimethylbenzamide
CID 19685456
N-(5-chloro-2-methylphenyl)-N'-(1-hydroxybutan-2-yl)oxamide
CID 45000896
N'-(5-chloro-2-methylphenyl)-N-(3-hydroxybutyl)oxamide
CID 111337573
N-(5-chloro-2-methylphenyl)-N'-[(E)-(2,4-dichlorophenyl)methylideneamino]oxamide
CID 56698653
N,N'-bis(5-chloro-2-methylphenyl)propanediamide
CID 1340673

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-N'-[(Z)-hexan-2-ylideneamino]oxamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-N'-[(Z)-hexan-2-ylideneamino]oxamide (CID 94846566) is N-(5-chloro-2-methylphenyl)-N'-[(Z)-hexan-2-ylideneamino]oxamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-N'-[(Z)-hexan-2-ylideneamino]oxamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-N'-[(Z)-hexan-2-ylideneamino]oxamide is CCCC/C(C)=N\NC(=O)C(=O)Nc1cc(Cl)ccc1C.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-N'-[(Z)-hexan-2-ylideneamino]oxamide?
The InChIKey is JLYYEZIMCSBBHL-WQRHYEAKSA-N. The full InChI is InChI=1S/C15H20ClN3O2/c1-4-5-6-11(3)18-19-15(21)14(20)17-13-9-12(16)8-7-10(13)2/h7-9H,4-6H2,1-3H3,(H,17,20)(H,19,21)/b18-11-.
What are the key properties of N-(5-chloro-2-methylphenyl)-N'-[(Z)-hexan-2-ylideneamino]oxamide?
N-(5-chloro-2-methylphenyl)-N'-[(Z)-hexan-2-ylideneamino]oxamide has a molecular weight of 309.80 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-N'-[(Z)-hexan-2-ylideneamino]oxamide is sourced from PubChem (CID 94846566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).