N'-(5-chloro-2-methylphenyl)-N-[2-(2-fluorophenyl)ethyl]propanediamide

C18H18ClFN2O2 — CID 108948290

IUPACN'-(5-chloro-2-methylphenyl)-N-[2-(2-fluorophenyl)ethyl]propanediamide
SMILESCc1ccc(Cl)cc1NC(=O)CC(=O)NCCc1ccccc1F
InChIInChI=1S/C18H18ClFN2O2/c1-12-6-7-14(19)10-16(12)22-18(24)11-17(23)21-9-8-13-4-2-3-5-15(13)20/h2-7,10H,8-9,11H2,1H3,(H,21,23)(H,22,24)
InChIKeyOBJBQWLJNKCZRZ-UHFFFAOYSA-N
MW348.81 g/mol
LogP3.48
Rot. Bonds6

About N'-(5-chloro-2-methylphenyl)-N-[2-(2-fluorophenyl)ethyl]propanediamide

N'-(5-chloro-2-methylphenyl)-N-[2-(2-fluorophenyl)ethyl]propanediamide (PubChem CID 108948290) has the molecular formula C18H18ClFN2O2 and a molecular weight of 348.81 g/mol. Its IUPAC name is N'-(5-chloro-2-methylphenyl)-N-[2-(2-fluorophenyl)ethyl]propanediamide.

Molecular Properties

Compound NameN'-(5-chloro-2-methylphenyl)-N-[2-(2-fluorophenyl)ethyl]propanediamide
PubChem CID108948290
Molecular FormulaC18H18ClFN2O2
Molecular Weight348.81 g/mol
Exact Mass348.10
IUPAC NameN'-(5-chloro-2-methylphenyl)-N-[2-(2-fluorophenyl)ethyl]propanediamide
SMILESCc1ccc(Cl)cc1NC(=O)CC(=O)NCCc1ccccc1F
InChIInChI=1S/C18H18ClFN2O2/c1-12-6-7-14(19)10-16(12)22-18(24)11-17(23)21-9-8-13-4-2-3-5-15(13)20/h2-7,10H,8-9,11H2,1H3,(H,21,23)(H,22,24)
InChIKeyOBJBQWLJNKCZRZ-UHFFFAOYSA-N
XLogP3.48
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.81
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze N'-(5-chloro-2-methylphenyl)-N-[2-(2-fluorophenyl)ethyl]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-(5-chloro-2-methylphenyl)-3-[2-(2-fluorophenyl)ethylamino]propanamide
CID 109024857
N,N'-bis(5-chloro-2-methylphenyl)propanediamide
CID 1340673
N-[2-(2,4-dichlorophenyl)ethyl]-N'-(2-fluorophenyl)propanediamide
CID 108952631
[2-(5-chloro-2-methylanilino)-2-oxoethyl]-[(2-fluorophenyl)methyl]-methylazanium
CID 9034874
N'-(2-ethyl-6-methylphenyl)-N-[2-(2-fluorophenyl)ethyl]propanediamide
CID 108948276
N-(5-chloro-2-methylphenyl)-2-(2-methylphenyl)acetamide
CID 8624306
methyl 2-[[3-[2-(2-fluorophenyl)ethylamino]-3-oxopropanoyl]amino]benzoate
CID 108948317
1-(5-chloro-2-methylsulfanylphenyl)-3-[2-(2-fluorophenyl)ethyl]urea
CID 60588730
N'-(2,6-diethylphenyl)-N-[2-(2-fluorophenyl)ethyl]propanediamide
CID 108948280
N-(4-chloro-2-methylphenyl)-N'-[2-(2-fluorophenyl)ethyl]-2,2-dimethylpropanediamide
CID 108964098
N-[2-(2-fluorophenyl)ethyl]-N'-(4-propan-2-ylphenyl)propanediamide
CID 108948278
2-[2-(2,4-dichlorophenyl)ethylamino]-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 109000291

Frequently Asked Questions

What is the IUPAC name of N'-(5-chloro-2-methylphenyl)-N-[2-(2-fluorophenyl)ethyl]propanediamide?
The IUPAC name of N'-(5-chloro-2-methylphenyl)-N-[2-(2-fluorophenyl)ethyl]propanediamide (CID 108948290) is N'-(5-chloro-2-methylphenyl)-N-[2-(2-fluorophenyl)ethyl]propanediamide.
What is the SMILES notation for N'-(5-chloro-2-methylphenyl)-N-[2-(2-fluorophenyl)ethyl]propanediamide?
The canonical SMILES for N'-(5-chloro-2-methylphenyl)-N-[2-(2-fluorophenyl)ethyl]propanediamide is Cc1ccc(Cl)cc1NC(=O)CC(=O)NCCc1ccccc1F.
What is the InChIKey of N'-(5-chloro-2-methylphenyl)-N-[2-(2-fluorophenyl)ethyl]propanediamide?
The InChIKey is OBJBQWLJNKCZRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClFN2O2/c1-12-6-7-14(19)10-16(12)22-18(24)11-17(23)21-9-8-13-4-2-3-5-15(13)20/h2-7,10H,8-9,11H2,1H3,(H,21,23)(H,22,24).
What are the key properties of N'-(5-chloro-2-methylphenyl)-N-[2-(2-fluorophenyl)ethyl]propanediamide?
N'-(5-chloro-2-methylphenyl)-N-[2-(2-fluorophenyl)ethyl]propanediamide has a molecular weight of 348.81 g/mol, XLogP of 3.48, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-chloro-2-methylphenyl)-N-[2-(2-fluorophenyl)ethyl]propanediamide is sourced from PubChem (CID 108948290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).