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

C16H13ClFN3O2 — CID 3974770

IUPACN-(2-chlorophenyl)-N'-[(4-fluorophenyl)methylideneamino]propanediamide
SMILESO=C(CC(=O)Nc1ccccc1Cl)NN=Cc1ccc(F)cc1
InChIInChI=1S/C16H13ClFN3O2/c17-13-3-1-2-4-14(13)20-15(22)9-16(23)21-19-10-11-5-7-12(18)8-6-11/h1-8,10H,9H2,(H,20,22)(H,21,23)
InChIKeyYCLASXIAFWJMIG-UHFFFAOYSA-N
MW333.75 g/mol
LogP2.96
Rot. Bonds5

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

N-(2-chlorophenyl)-N'-[(4-fluorophenyl)methylideneamino]propanediamide (PubChem CID 3974770) has the molecular formula C16H13ClFN3O2 and a molecular weight of 333.75 g/mol. Its IUPAC name is N-(2-chlorophenyl)-N'-[(4-fluorophenyl)methylideneamino]propanediamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-N'-[(4-fluorophenyl)methylideneamino]propanediamide
PubChem CID3974770
Molecular FormulaC16H13ClFN3O2
Molecular Weight333.75 g/mol
Exact Mass333.07
IUPAC NameN-(2-chlorophenyl)-N'-[(4-fluorophenyl)methylideneamino]propanediamide
SMILESO=C(CC(=O)Nc1ccccc1Cl)NN=Cc1ccc(F)cc1
InChIInChI=1S/C16H13ClFN3O2/c17-13-3-1-2-4-14(13)20-15(22)9-16(23)21-19-10-11-5-7-12(18)8-6-11/h1-8,10H,9H2,(H,20,22)(H,21,23)
InChIKeyYCLASXIAFWJMIG-UHFFFAOYSA-N
XLogP2.96
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.75
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'-[(4-chlorophenyl)methylideneamino]-N-(2-fluorophenyl)propanediamide
CID 3985918
N'-[(2-chlorophenyl)methylideneamino]-N-(4-fluorophenyl)propanediamide
CID 3288979
N-(2-chlorophenyl)-N'-[(4-hydroxyphenyl)methylideneamino]butanediamide
CID 3591287
N-(2-chlorophenyl)-N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]propanediamide
CID 135683659
N'-[(4-tert-butylphenyl)methylideneamino]-N-(2,3-dichlorophenyl)propanediamide
CID 5014358
N-[(E)-(4-fluorophenyl)methylideneamino]-2-phenylacetamide
CID 6899001
N-[(Z)-benzylideneamino]-2-(2-chloroanilino)acetamide
CID 5427716
N-(4-fluorophenyl)-N'-[(4-methylsulfanylphenyl)methylideneamino]propanediamide
CID 4218868
N-(2-chlorophenyl)-N'-[(3-methoxy-4-propoxyphenyl)methylideneamino]propanediamide
CID 3303970
N-(2-chlorophenyl)-N'-[(2-phenylmethoxyphenyl)methylideneamino]propanediamide
CID 3569452
N,N'-bis[(Z)-(4-fluorophenyl)methylideneamino]decanediamide
CID 6277081
N'-(benzylideneamino)-N-(2-bromophenyl)propanediamide
CID 3998182

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-N'-[(4-fluorophenyl)methylideneamino]propanediamide?
The IUPAC name of N-(2-chlorophenyl)-N'-[(4-fluorophenyl)methylideneamino]propanediamide (CID 3974770) is N-(2-chlorophenyl)-N'-[(4-fluorophenyl)methylideneamino]propanediamide.
What is the SMILES notation for N-(2-chlorophenyl)-N'-[(4-fluorophenyl)methylideneamino]propanediamide?
The canonical SMILES for N-(2-chlorophenyl)-N'-[(4-fluorophenyl)methylideneamino]propanediamide is O=C(CC(=O)Nc1ccccc1Cl)NN=Cc1ccc(F)cc1.
What is the InChIKey of N-(2-chlorophenyl)-N'-[(4-fluorophenyl)methylideneamino]propanediamide?
The InChIKey is YCLASXIAFWJMIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFN3O2/c17-13-3-1-2-4-14(13)20-15(22)9-16(23)21-19-10-11-5-7-12(18)8-6-11/h1-8,10H,9H2,(H,20,22)(H,21,23).
What are the key properties of N-(2-chlorophenyl)-N'-[(4-fluorophenyl)methylideneamino]propanediamide?
N-(2-chlorophenyl)-N'-[(4-fluorophenyl)methylideneamino]propanediamide has a molecular weight of 333.75 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'-[(4-fluorophenyl)methylideneamino]propanediamide is sourced from PubChem (CID 3974770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).