N,N'-bis[(3-chlorophenyl)methylideneamino]propanediamide

C17H14Cl2N4O2 — CID 3386676

IUPACN,N'-bis[(3-chlorophenyl)methylideneamino]propanediamide
SMILESO=C(CC(=O)NN=Cc1cccc(Cl)c1)NN=Cc1cccc(Cl)c1
InChIInChI=1S/C17H14Cl2N4O2/c18-14-5-1-3-12(7-14)10-20-22-16(24)9-17(25)23-21-11-13-4-2-6-15(19)8-13/h1-8,10-11H,9H2,(H,22,24)(H,23,25)
InChIKeyUJRHHUIJZSLFMR-UHFFFAOYSA-N
MW377.23 g/mol
LogP2.98
Rot. Bonds6

About N,N'-bis[(3-chlorophenyl)methylideneamino]propanediamide

N,N'-bis[(3-chlorophenyl)methylideneamino]propanediamide (PubChem CID 3386676) has the molecular formula C17H14Cl2N4O2 and a molecular weight of 377.23 g/mol. Its IUPAC name is N,N'-bis[(3-chlorophenyl)methylideneamino]propanediamide.

Molecular Properties

Compound NameN,N'-bis[(3-chlorophenyl)methylideneamino]propanediamide
PubChem CID3386676
Molecular FormulaC17H14Cl2N4O2
Molecular Weight377.23 g/mol
Exact Mass376.05
IUPAC NameN,N'-bis[(3-chlorophenyl)methylideneamino]propanediamide
SMILESO=C(CC(=O)NN=Cc1cccc(Cl)c1)NN=Cc1cccc(Cl)c1
InChIInChI=1S/C17H14Cl2N4O2/c18-14-5-1-3-12(7-14)10-20-22-16(24)9-17(25)23-21-11-13-4-2-6-15(19)8-13/h1-8,10-11H,9H2,(H,22,24)(H,23,25)
InChIKeyUJRHHUIJZSLFMR-UHFFFAOYSA-N
XLogP2.98
TPSA82.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.23
LogP ≤ 52.98
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'-[(E)-(3-chlorophenyl)methylideneamino]-N-cyclohexylpropanediamide
CID 21211605
N-[(3-chlorophenyl)methylideneamino]hexadecanamide
CID 75087758
N-[(E)-(3-chlorophenyl)methylideneamino]octadecanamide
CID 45054960
N-[(3-chlorophenyl)methylideneamino]-2-[(3-chlorophenyl)methylsulfanyl]acetamide
CID 3639982
N-[(Z)-(3-chlorophenyl)methylideneamino]-2-(5-oxo-1,2-dihydropyrazol-3-yl)acetamide
CID 6132035
2-(2-chloroanilino)-N-[(Z)-(3-chlorophenyl)methylideneamino]acetamide
CID 5427729
methyl N-[(3-chlorophenyl)methylideneamino]carbamate
CID 909415
N,N'-bis[(E)-(3-bromophenyl)methylideneamino]propanediamide
CID 6894427
N-[(E)-(3-chlorophenyl)methylideneamino]-2-(2,4-dimethylphenyl)acetamide
CID 133143775
N-[(Z)-(3-chlorophenyl)methylideneamino]-2-(1H-indol-3-yl)acetamide
CID 42034300
N-[(Z)-(3-chlorophenyl)methylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 5393352
2-(3-bromoanilino)-N-[(E)-(3-chlorophenyl)methylideneamino]acetamide
CID 19617349

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[(3-chlorophenyl)methylideneamino]propanediamide?
The IUPAC name of N,N'-bis[(3-chlorophenyl)methylideneamino]propanediamide (CID 3386676) is N,N'-bis[(3-chlorophenyl)methylideneamino]propanediamide.
What is the SMILES notation for N,N'-bis[(3-chlorophenyl)methylideneamino]propanediamide?
The canonical SMILES for N,N'-bis[(3-chlorophenyl)methylideneamino]propanediamide is O=C(CC(=O)NN=Cc1cccc(Cl)c1)NN=Cc1cccc(Cl)c1.
What is the InChIKey of N,N'-bis[(3-chlorophenyl)methylideneamino]propanediamide?
The InChIKey is UJRHHUIJZSLFMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N4O2/c18-14-5-1-3-12(7-14)10-20-22-16(24)9-17(25)23-21-11-13-4-2-6-15(19)8-13/h1-8,10-11H,9H2,(H,22,24)(H,23,25).
What are the key properties of N,N'-bis[(3-chlorophenyl)methylideneamino]propanediamide?
N,N'-bis[(3-chlorophenyl)methylideneamino]propanediamide has a molecular weight of 377.23 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[(3-chlorophenyl)methylideneamino]propanediamide is sourced from PubChem (CID 3386676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).