N'-[(4-chlorophenyl)methylideneamino]-N-(2-methoxyethyl)propanediamide

C13H16ClN3O3 — CID 4174903

IUPACN'-[(4-chlorophenyl)methylideneamino]-N-(2-methoxyethyl)propanediamide
SMILESCOCCNC(=O)CC(=O)NN=Cc1ccc(Cl)cc1
InChIInChI=1S/C13H16ClN3O3/c1-20-7-6-15-12(18)8-13(19)17-16-9-10-2-4-11(14)5-3-10/h2-5,9H,6-8H2,1H3,(H,15,18)(H,17,19)
InChIKeyILXNMRBJZNDIIH-UHFFFAOYSA-N
MW297.74 g/mol
LogP0.94
Rot. Bonds7

About N'-[(4-chlorophenyl)methylideneamino]-N-(2-methoxyethyl)propanediamide

N'-[(4-chlorophenyl)methylideneamino]-N-(2-methoxyethyl)propanediamide (PubChem CID 4174903) has the molecular formula C13H16ClN3O3 and a molecular weight of 297.74 g/mol. Its IUPAC name is N'-[(4-chlorophenyl)methylideneamino]-N-(2-methoxyethyl)propanediamide.

Molecular Properties

Compound NameN'-[(4-chlorophenyl)methylideneamino]-N-(2-methoxyethyl)propanediamide
PubChem CID4174903
Molecular FormulaC13H16ClN3O3
Molecular Weight297.74 g/mol
Exact Mass297.09
IUPAC NameN'-[(4-chlorophenyl)methylideneamino]-N-(2-methoxyethyl)propanediamide
SMILESCOCCNC(=O)CC(=O)NN=Cc1ccc(Cl)cc1
InChIInChI=1S/C13H16ClN3O3/c1-20-7-6-15-12(18)8-13(19)17-16-9-10-2-4-11(14)5-3-10/h2-5,9H,6-8H2,1H3,(H,15,18)(H,17,19)
InChIKeyILXNMRBJZNDIIH-UHFFFAOYSA-N
XLogP0.94
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.74
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', '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

methyl 4-[[[3-(2-methoxyethylamino)-3-oxopropanoyl]hydrazinylidene]methyl]benzoate
CID 3105043
N'-[(E)-(4-ethoxyphenyl)methylideneamino]-N-(2-methoxyethyl)propanediamide
CID 6164634
N'-[[4-[2-(2-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-methoxyethyl)propanediamide
CID 3131650
N-(3-methoxypropyl)-N'-[(Z)-(4-methylsulfanylphenyl)methylideneamino]propanediamide
CID 6369097
N'-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-N-(2-methoxyethyl)propanediamide
CID 94847587
methyl 3-[[[3-(2-methoxyethylamino)-3-oxopropanoyl]hydrazinylidene]methyl]benzoate
CID 3121387
methyl N-[(Z)-(4-chlorophenyl)methylideneamino]carbamate
CID 5417418
2-[(E)-[[3-(2-methoxyethylamino)-3-oxopropanoyl]hydrazinylidene]methyl]benzoate
CID 7410200
N,N'-bis[(4-chlorophenyl)methylideneamino]nonanediamide
CID 3703961
N-[(E)-(4-methoxyphenyl)methylideneamino]-N'-[(Z)-(4-methoxyphenyl)methylideneamino]propanediamide
CID 44726282
4-chloro-N-[2-[(2Z)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 6172797
2-(4-chloroanilino)-N-(2-methoxyethyl)acetamide
CID 39347241

Frequently Asked Questions

What is the IUPAC name of N'-[(4-chlorophenyl)methylideneamino]-N-(2-methoxyethyl)propanediamide?
The IUPAC name of N'-[(4-chlorophenyl)methylideneamino]-N-(2-methoxyethyl)propanediamide (CID 4174903) is N'-[(4-chlorophenyl)methylideneamino]-N-(2-methoxyethyl)propanediamide.
What is the SMILES notation for N'-[(4-chlorophenyl)methylideneamino]-N-(2-methoxyethyl)propanediamide?
The canonical SMILES for N'-[(4-chlorophenyl)methylideneamino]-N-(2-methoxyethyl)propanediamide is COCCNC(=O)CC(=O)NN=Cc1ccc(Cl)cc1.
What is the InChIKey of N'-[(4-chlorophenyl)methylideneamino]-N-(2-methoxyethyl)propanediamide?
The InChIKey is ILXNMRBJZNDIIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O3/c1-20-7-6-15-12(18)8-13(19)17-16-9-10-2-4-11(14)5-3-10/h2-5,9H,6-8H2,1H3,(H,15,18)(H,17,19).
What are the key properties of N'-[(4-chlorophenyl)methylideneamino]-N-(2-methoxyethyl)propanediamide?
N'-[(4-chlorophenyl)methylideneamino]-N-(2-methoxyethyl)propanediamide has a molecular weight of 297.74 g/mol, XLogP of 0.94, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-chlorophenyl)methylideneamino]-N-(2-methoxyethyl)propanediamide is sourced from PubChem (CID 4174903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).