N-(2-chlorophenyl)-N'-[(Z)-hexan-2-ylideneamino]oxamide

C14H18ClN3O2 — CID 94846586

IUPACN-(2-chlorophenyl)-N'-[(Z)-hexan-2-ylideneamino]oxamide
SMILESCCCC/C(C)=N\NC(=O)C(=O)Nc1ccccc1Cl
InChIInChI=1S/C14H18ClN3O2/c1-3-4-7-10(2)17-18-14(20)13(19)16-12-9-6-5-8-11(12)15/h5-6,8-9H,3-4,7H2,1-2H3,(H,16,19)(H,18,20)/b17-10-
InChIKeyJMUSLWWXPVCNRW-YVLHZVERSA-N
MW295.77 g/mol
LogP2.96
Rot. Bonds5

About N-(2-chlorophenyl)-N'-[(Z)-hexan-2-ylideneamino]oxamide

N-(2-chlorophenyl)-N'-[(Z)-hexan-2-ylideneamino]oxamide (PubChem CID 94846586) has the molecular formula C14H18ClN3O2 and a molecular weight of 295.77 g/mol. Its IUPAC name is N-(2-chlorophenyl)-N'-[(Z)-hexan-2-ylideneamino]oxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-N'-[(Z)-hexan-2-ylideneamino]oxamide
PubChem CID94846586
Molecular FormulaC14H18ClN3O2
Molecular Weight295.77 g/mol
Exact Mass295.11
IUPAC NameN-(2-chlorophenyl)-N'-[(Z)-hexan-2-ylideneamino]oxamide
SMILESCCCC/C(C)=N\NC(=O)C(=O)Nc1ccccc1Cl
InChIInChI=1S/C14H18ClN3O2/c1-3-4-7-10(2)17-18-14(20)13(19)16-12-9-6-5-8-11(12)15/h5-6,8-9H,3-4,7H2,1-2H3,(H,16,19)(H,18,20)/b17-10-
InChIKeyJMUSLWWXPVCNRW-YVLHZVERSA-N
XLogP2.96
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 52.96
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'}

Analyze N-(2-chlorophenyl)-N'-[(Z)-hexan-2-ylideneamino]oxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-chloro-2-methylphenyl)-N'-[(Z)-hexan-2-ylideneamino]oxamide
CID 94846566
N'-(2-chlorophenyl)-N-nonyloxamide
CID 126275868
N-(3-chloro-2-methylphenyl)-N'-[(Z)-[4-(2-ethylanilino)-4-oxobutan-2-ylidene]amino]oxamide
CID 126458051
N-(2-chlorophenyl)hexanamide
CID 4644560
N-(2-chlorophenyl)-N'-[(E)-1-thiophen-2-ylethylideneamino]oxamide
CID 19660564
N'-[(E)-[4-(3,5-dichloroanilino)-4-oxobutan-2-ylidene]amino]-N-naphthalen-1-yloxamide
CID 98157842
N-(2-chlorophenyl)octanamide
CID 2292983
N,N'-bis(undecan-2-ylideneamino)oxamide
CID 3097994
N'-[(E)-[4-(4-carbamoylanilino)-4-oxobutan-2-ylidene]amino]-N-(3-chloro-2-methylphenyl)oxamide
CID 46501220
heptyl 2-(2-chloroanilino)-2-oxoacetate
CID 6420862
(2S)-2-amino-N-(2-chlorophenyl)hexanamide
CID 103830834
N'-(hexan-2-ylideneamino)-N-propan-2-yloxamide
CID 2855495

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-N'-[(Z)-hexan-2-ylideneamino]oxamide?
The IUPAC name of N-(2-chlorophenyl)-N'-[(Z)-hexan-2-ylideneamino]oxamide (CID 94846586) is N-(2-chlorophenyl)-N'-[(Z)-hexan-2-ylideneamino]oxamide.
What is the SMILES notation for N-(2-chlorophenyl)-N'-[(Z)-hexan-2-ylideneamino]oxamide?
The canonical SMILES for N-(2-chlorophenyl)-N'-[(Z)-hexan-2-ylideneamino]oxamide is CCCC/C(C)=N\NC(=O)C(=O)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-N'-[(Z)-hexan-2-ylideneamino]oxamide?
The InChIKey is JMUSLWWXPVCNRW-YVLHZVERSA-N. The full InChI is InChI=1S/C14H18ClN3O2/c1-3-4-7-10(2)17-18-14(20)13(19)16-12-9-6-5-8-11(12)15/h5-6,8-9H,3-4,7H2,1-2H3,(H,16,19)(H,18,20)/b17-10-.
What are the key properties of N-(2-chlorophenyl)-N'-[(Z)-hexan-2-ylideneamino]oxamide?
N-(2-chlorophenyl)-N'-[(Z)-hexan-2-ylideneamino]oxamide has a molecular weight of 295.77 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-N'-[(Z)-hexan-2-ylideneamino]oxamide is sourced from PubChem (CID 94846586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).