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

C17H16ClN3O3 — CID 3928053

IUPACN'-[(2-chlorophenyl)methylideneamino]-N-(4-methoxyphenyl)propanediamide
SMILESCOc1ccc(NC(=O)CC(=O)NN=Cc2ccccc2Cl)cc1
InChIInChI=1S/C17H16ClN3O3/c1-24-14-8-6-13(7-9-14)20-16(22)10-17(23)21-19-11-12-4-2-3-5-15(12)18/h2-9,11H,10H2,1H3,(H,20,22)(H,21,23)
InChIKeyPYAQAAREAYWDLZ-UHFFFAOYSA-N
MW345.79 g/mol
LogP2.83
Rot. Bonds6

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

N'-[(2-chlorophenyl)methylideneamino]-N-(4-methoxyphenyl)propanediamide (PubChem CID 3928053) has the molecular formula C17H16ClN3O3 and a molecular weight of 345.79 g/mol. Its IUPAC name is N'-[(2-chlorophenyl)methylideneamino]-N-(4-methoxyphenyl)propanediamide.

Molecular Properties

Compound NameN'-[(2-chlorophenyl)methylideneamino]-N-(4-methoxyphenyl)propanediamide
PubChem CID3928053
Molecular FormulaC17H16ClN3O3
Molecular Weight345.79 g/mol
Exact Mass345.09
IUPAC NameN'-[(2-chlorophenyl)methylideneamino]-N-(4-methoxyphenyl)propanediamide
SMILESCOc1ccc(NC(=O)CC(=O)NN=Cc2ccccc2Cl)cc1
InChIInChI=1S/C17H16ClN3O3/c1-24-14-8-6-13(7-9-14)20-16(22)10-17(23)21-19-11-12-4-2-3-5-15(12)18/h2-9,11H,10H2,1H3,(H,20,22)(H,21,23)
InChIKeyPYAQAAREAYWDLZ-UHFFFAOYSA-N
XLogP2.83
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.79
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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

N'-[(2-chlorophenyl)methylideneamino]-N-(4-fluorophenyl)propanediamide
CID 3288979
N'-(benzylideneamino)-N-(4-methoxyphenyl)propanediamide
CID 5156637
N'-[[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(4-methoxyphenyl)propanediamide
CID 3903944
N-(3-chloro-4-methylphenyl)-N'-[(2-chlorophenyl)methylideneamino]propanediamide
CID 3421527
N'-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-N-(4-methoxyphenyl)propanediamide
CID 135821656
N-[(Z)-(2-chlorophenyl)methylideneamino]-4-methoxybenzamide
CID 5404314
N'-[(2,4-dimethoxyphenyl)methylideneamino]-N-(4-methoxyphenyl)propanediamide
CID 3959859
N'-[(2,5-dimethoxyphenyl)methylideneamino]-N-phenylpropanediamide
CID 3455100
N-[(Z)-(2-chlorophenyl)methylideneamino]-2-(4-methoxy-N-methylsulfonylanilino)acetamide
CID 28589089
N'-[(2-ethoxy-3-methoxyphenyl)methylideneamino]-N-(4-methoxyphenyl)propanediamide
CID 5115888
N-[(2-chlorophenyl)methylideneamino]-2-(4-methoxyanilino)propanamide
CID 5001692
N-(3-methoxyphenyl)-N'-(naphthalen-1-ylmethylideneamino)propanediamide
CID 5227321

Frequently Asked Questions

What is the IUPAC name of N'-[(2-chlorophenyl)methylideneamino]-N-(4-methoxyphenyl)propanediamide?
The IUPAC name of N'-[(2-chlorophenyl)methylideneamino]-N-(4-methoxyphenyl)propanediamide (CID 3928053) is N'-[(2-chlorophenyl)methylideneamino]-N-(4-methoxyphenyl)propanediamide.
What is the SMILES notation for N'-[(2-chlorophenyl)methylideneamino]-N-(4-methoxyphenyl)propanediamide?
The canonical SMILES for N'-[(2-chlorophenyl)methylideneamino]-N-(4-methoxyphenyl)propanediamide is COc1ccc(NC(=O)CC(=O)NN=Cc2ccccc2Cl)cc1.
What is the InChIKey of N'-[(2-chlorophenyl)methylideneamino]-N-(4-methoxyphenyl)propanediamide?
The InChIKey is PYAQAAREAYWDLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O3/c1-24-14-8-6-13(7-9-14)20-16(22)10-17(23)21-19-11-12-4-2-3-5-15(12)18/h2-9,11H,10H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N'-[(2-chlorophenyl)methylideneamino]-N-(4-methoxyphenyl)propanediamide?
N'-[(2-chlorophenyl)methylideneamino]-N-(4-methoxyphenyl)propanediamide has a molecular weight of 345.79 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-chlorophenyl)methylideneamino]-N-(4-methoxyphenyl)propanediamide is sourced from PubChem (CID 3928053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).