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

C16H13ClFN3O2 — CID 3288979

IUPACN'-[(2-chlorophenyl)methylideneamino]-N-(4-fluorophenyl)propanediamide
SMILESO=C(CC(=O)Nc1ccc(F)cc1)NN=Cc1ccccc1Cl
InChIInChI=1S/C16H13ClFN3O2/c17-14-4-2-1-3-11(14)10-19-21-16(23)9-15(22)20-13-7-5-12(18)6-8-13/h1-8,10H,9H2,(H,20,22)(H,21,23)
InChIKeyOTUGIYNKKLHYPK-UHFFFAOYSA-N
MW333.75 g/mol
LogP2.96
Rot. Bonds5

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

N'-[(2-chlorophenyl)methylideneamino]-N-(4-fluorophenyl)propanediamide (PubChem CID 3288979) has the molecular formula C16H13ClFN3O2 and a molecular weight of 333.75 g/mol. Its IUPAC name is N'-[(2-chlorophenyl)methylideneamino]-N-(4-fluorophenyl)propanediamide.

Molecular Properties

Compound NameN'-[(2-chlorophenyl)methylideneamino]-N-(4-fluorophenyl)propanediamide
PubChem CID3288979
Molecular FormulaC16H13ClFN3O2
Molecular Weight333.75 g/mol
Exact Mass333.07
IUPAC NameN'-[(2-chlorophenyl)methylideneamino]-N-(4-fluorophenyl)propanediamide
SMILESO=C(CC(=O)Nc1ccc(F)cc1)NN=Cc1ccccc1Cl
InChIInChI=1S/C16H13ClFN3O2/c17-14-4-2-1-3-11(14)10-19-21-16(23)9-15(22)20-13-7-5-12(18)6-8-13/h1-8,10H,9H2,(H,20,22)(H,21,23)
InChIKeyOTUGIYNKKLHYPK-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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(Z)-(2-chlorophenyl)methylideneamino]-2-(4-fluorophenyl)acetamide
CID 7428594
N'-[(2-chlorophenyl)methylideneamino]-N-(4-methoxyphenyl)propanediamide
CID 3928053
N-(3-chloro-4-methylphenyl)-N'-[(2-chlorophenyl)methylideneamino]propanediamide
CID 3421527
N-(2-chlorophenyl)-N'-[(4-fluorophenyl)methylideneamino]propanediamide
CID 3974770
N'-[(5-chloro-2-hydroxyphenyl)methylideneamino]-N-(4-fluorophenyl)propanediamide
CID 3299704
N-[2-[2-[(2-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-fluorobenzamide
CID 3262359
N-(4-fluorophenyl)-N'-[(2-hydroxyphenyl)methylideneamino]butanediamide
CID 3766078
N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-2-(4-fluorophenyl)acetamide
CID 7428711
N-(4-fluorophenyl)-N'-[(2-propoxyphenyl)methylideneamino]butanediamide
CID 4542662
N-[(E)-(2-chlorophenyl)methylideneamino]-2-cyanoacetamide
CID 6883998
N-[(2-chlorophenyl)methylideneamino]-2-cyanoacetamide
CID 709280
N'-[(Z)-[2-[2-(2-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-fluorophenyl)oxamide
CID 126265929

Frequently Asked Questions

What is the IUPAC name of N'-[(2-chlorophenyl)methylideneamino]-N-(4-fluorophenyl)propanediamide?
The IUPAC name of N'-[(2-chlorophenyl)methylideneamino]-N-(4-fluorophenyl)propanediamide (CID 3288979) is N'-[(2-chlorophenyl)methylideneamino]-N-(4-fluorophenyl)propanediamide.
What is the SMILES notation for N'-[(2-chlorophenyl)methylideneamino]-N-(4-fluorophenyl)propanediamide?
The canonical SMILES for N'-[(2-chlorophenyl)methylideneamino]-N-(4-fluorophenyl)propanediamide is O=C(CC(=O)Nc1ccc(F)cc1)NN=Cc1ccccc1Cl.
What is the InChIKey of N'-[(2-chlorophenyl)methylideneamino]-N-(4-fluorophenyl)propanediamide?
The InChIKey is OTUGIYNKKLHYPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFN3O2/c17-14-4-2-1-3-11(14)10-19-21-16(23)9-15(22)20-13-7-5-12(18)6-8-13/h1-8,10H,9H2,(H,20,22)(H,21,23).
What are the key properties of N'-[(2-chlorophenyl)methylideneamino]-N-(4-fluorophenyl)propanediamide?
N'-[(2-chlorophenyl)methylideneamino]-N-(4-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'-[(2-chlorophenyl)methylideneamino]-N-(4-fluorophenyl)propanediamide is sourced from PubChem (CID 3288979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).