N'-[1-(2,4-dichlorophenyl)propylideneamino]oxamide

C11H11Cl2N3O2 — CID 4181307

IUPACN'-[1-(2,4-dichlorophenyl)propylideneamino]oxamide
SMILESCCC(=NNC(=O)C(N)=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C11H11Cl2N3O2/c1-2-9(15-16-11(18)10(14)17)7-4-3-6(12)5-8(7)13/h3-5H,2H2,1H3,(H2,14,17)(H,16,18)
InChIKeyOMLABBWSSKCQBM-UHFFFAOYSA-N
MW288.13 g/mol
LogP1.71
Rot. Bonds3

About N'-[1-(2,4-dichlorophenyl)propylideneamino]oxamide

N'-[1-(2,4-dichlorophenyl)propylideneamino]oxamide (PubChem CID 4181307) has the molecular formula C11H11Cl2N3O2 and a molecular weight of 288.13 g/mol. Its IUPAC name is N'-[1-(2,4-dichlorophenyl)propylideneamino]oxamide.

Molecular Properties

Compound NameN'-[1-(2,4-dichlorophenyl)propylideneamino]oxamide
PubChem CID4181307
Molecular FormulaC11H11Cl2N3O2
Molecular Weight288.13 g/mol
Exact Mass287.02
IUPAC NameN'-[1-(2,4-dichlorophenyl)propylideneamino]oxamide
SMILESCCC(=NNC(=O)C(N)=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C11H11Cl2N3O2/c1-2-9(15-16-11(18)10(14)17)7-4-3-6(12)5-8(7)13/h3-5H,2H2,1H3,(H2,14,17)(H,16,18)
InChIKeyOMLABBWSSKCQBM-UHFFFAOYSA-N
XLogP1.71
TPSA84.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.13
LogP ≤ 51.71
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)-1-(2,4-dichlorophenyl)propylideneamino]cyclopropanecarboxamide
CID 6300945
4-tert-butyl-N-[1-(2,4-dichlorophenyl)propylideneamino]benzamide
CID 3681131
N-[1-(2,4-dichlorophenyl)propylideneamino]nonanamide
CID 4154549
N-[(E)-1-(2,4-dichlorophenyl)propylideneamino]nonanamide
CID 6023036
N-[(E)-1-(2,4-dichlorophenyl)propylideneamino]-3-methylbenzamide
CID 19685167
2,4-dichloro-N-[1-(4-chlorophenyl)propylideneamino]benzamide
CID 4063120
N-[(Z)-1-(2,4-dichlorophenyl)propylideneamino]pyridine-3-carboxamide
CID 6073439
N-[1-(2,4-dichlorophenyl)propylideneamino]-2-naphthalen-1-ylacetamide
CID 4133962
N-[1-(2,4-dichlorophenyl)pentylideneamino]acetamide
CID 88673856
N'-[1-(4-hydroxyphenyl)propylideneamino]oxamide
CID 4645851
N'-[[1-amino-2-(2,4-dichlorophenoxy)ethylidene]amino]oxamide
CID 3799613
N'-[(Z)-1-(4-fluorophenyl)propylideneamino]oxamide
CID 7612689

Frequently Asked Questions

What is the IUPAC name of N'-[1-(2,4-dichlorophenyl)propylideneamino]oxamide?
The IUPAC name of N'-[1-(2,4-dichlorophenyl)propylideneamino]oxamide (CID 4181307) is N'-[1-(2,4-dichlorophenyl)propylideneamino]oxamide.
What is the SMILES notation for N'-[1-(2,4-dichlorophenyl)propylideneamino]oxamide?
The canonical SMILES for N'-[1-(2,4-dichlorophenyl)propylideneamino]oxamide is CCC(=NNC(=O)C(N)=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of N'-[1-(2,4-dichlorophenyl)propylideneamino]oxamide?
The InChIKey is OMLABBWSSKCQBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2N3O2/c1-2-9(15-16-11(18)10(14)17)7-4-3-6(12)5-8(7)13/h3-5H,2H2,1H3,(H2,14,17)(H,16,18).
What are the key properties of N'-[1-(2,4-dichlorophenyl)propylideneamino]oxamide?
N'-[1-(2,4-dichlorophenyl)propylideneamino]oxamide has a molecular weight of 288.13 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(2,4-dichlorophenyl)propylideneamino]oxamide is sourced from PubChem (CID 4181307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).