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

C16H13ClFN3O2 — CID 3985918

IUPACN'-[(4-chlorophenyl)methylideneamino]-N-(2-fluorophenyl)propanediamide
SMILESO=C(CC(=O)Nc1ccccc1F)NN=Cc1ccc(Cl)cc1
InChIInChI=1S/C16H13ClFN3O2/c17-12-7-5-11(6-8-12)10-19-21-16(23)9-15(22)20-14-4-2-1-3-13(14)18/h1-8,10H,9H2,(H,20,22)(H,21,23)
InChIKeyNAKBKHQEBRAQGS-UHFFFAOYSA-N
MW333.75 g/mol
LogP2.96
Rot. Bonds5

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

N'-[(4-chlorophenyl)methylideneamino]-N-(2-fluorophenyl)propanediamide (PubChem CID 3985918) has the molecular formula C16H13ClFN3O2 and a molecular weight of 333.75 g/mol. Its IUPAC name is N'-[(4-chlorophenyl)methylideneamino]-N-(2-fluorophenyl)propanediamide.

Molecular Properties

Compound NameN'-[(4-chlorophenyl)methylideneamino]-N-(2-fluorophenyl)propanediamide
PubChem CID3985918
Molecular FormulaC16H13ClFN3O2
Molecular Weight333.75 g/mol
Exact Mass333.07
IUPAC NameN'-[(4-chlorophenyl)methylideneamino]-N-(2-fluorophenyl)propanediamide
SMILESO=C(CC(=O)Nc1ccccc1F)NN=Cc1ccc(Cl)cc1
InChIInChI=1S/C16H13ClFN3O2/c17-12-7-5-11(6-8-12)10-19-21-16(23)9-15(22)20-14-4-2-1-3-13(14)18/h1-8,10H,9H2,(H,20,22)(H,21,23)
InChIKeyNAKBKHQEBRAQGS-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-(2-chlorophenyl)-N'-[(4-fluorophenyl)methylideneamino]propanediamide
CID 3974770
N'-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-N-(2-fluorophenyl)propanediamide
CID 3919120
N'-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-N-(2-fluorophenyl)propanediamide
CID 135716005
N-(2-fluorophenyl)-N'-[(E)-(4-hydroxyphenyl)methylideneamino]butanediamide
CID 135704400
N-(2-fluorophenyl)-N'-[(4-methylphenyl)methylideneamino]butanediamide
CID 3954724
N-(2-fluorophenyl)-N'-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]propanediamide
CID 135821567
N-(4-chlorophenyl)-N'-[(4-methylsulfanylphenyl)methylideneamino]propanediamide
CID 5145902
N'-[(3-ethoxy-4-propoxyphenyl)methylideneamino]-N-(2-fluorophenyl)propanediamide
CID 5040782
N'-[(3-bromo-4-phenylmethoxyphenyl)methylideneamino]-N-(2-fluorophenyl)propanediamide
CID 5135445
N'-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(2-fluorophenyl)propanediamide
CID 135679783
N-(2-fluorophenyl)-N'-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanediamide
CID 135613934
N,N'-bis[(4-chlorophenyl)methylideneamino]nonanediamide
CID 3703961

Frequently Asked Questions

What is the IUPAC name of N'-[(4-chlorophenyl)methylideneamino]-N-(2-fluorophenyl)propanediamide?
The IUPAC name of N'-[(4-chlorophenyl)methylideneamino]-N-(2-fluorophenyl)propanediamide (CID 3985918) is N'-[(4-chlorophenyl)methylideneamino]-N-(2-fluorophenyl)propanediamide.
What is the SMILES notation for N'-[(4-chlorophenyl)methylideneamino]-N-(2-fluorophenyl)propanediamide?
The canonical SMILES for N'-[(4-chlorophenyl)methylideneamino]-N-(2-fluorophenyl)propanediamide is O=C(CC(=O)Nc1ccccc1F)NN=Cc1ccc(Cl)cc1.
What is the InChIKey of N'-[(4-chlorophenyl)methylideneamino]-N-(2-fluorophenyl)propanediamide?
The InChIKey is NAKBKHQEBRAQGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFN3O2/c17-12-7-5-11(6-8-12)10-19-21-16(23)9-15(22)20-14-4-2-1-3-13(14)18/h1-8,10H,9H2,(H,20,22)(H,21,23).
What are the key properties of N'-[(4-chlorophenyl)methylideneamino]-N-(2-fluorophenyl)propanediamide?
N'-[(4-chlorophenyl)methylideneamino]-N-(2-fluorophenyl)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'-[(4-chlorophenyl)methylideneamino]-N-(2-fluorophenyl)propanediamide is sourced from PubChem (CID 3985918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).