N'-(2,6-diethylphenyl)-N-[2-(2-fluorophenyl)ethyl]propanediamide

C21H25FN2O2 — CID 108948280

IUPACN'-(2,6-diethylphenyl)-N-[2-(2-fluorophenyl)ethyl]propanediamide
SMILESCCc1cccc(CC)c1NC(=O)CC(=O)NCCc1ccccc1F
InChIInChI=1S/C21H25FN2O2/c1-3-15-9-7-10-16(4-2)21(15)24-20(26)14-19(25)23-13-12-17-8-5-6-11-18(17)22/h5-11H,3-4,12-14H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyMAGZZNWQKYMGNG-UHFFFAOYSA-N
MW356.44 g/mol
LogP3.64
Rot. Bonds8

About N'-(2,6-diethylphenyl)-N-[2-(2-fluorophenyl)ethyl]propanediamide

N'-(2,6-diethylphenyl)-N-[2-(2-fluorophenyl)ethyl]propanediamide (PubChem CID 108948280) has the molecular formula C21H25FN2O2 and a molecular weight of 356.44 g/mol. Its IUPAC name is N'-(2,6-diethylphenyl)-N-[2-(2-fluorophenyl)ethyl]propanediamide.

Molecular Properties

Compound NameN'-(2,6-diethylphenyl)-N-[2-(2-fluorophenyl)ethyl]propanediamide
PubChem CID108948280
Molecular FormulaC21H25FN2O2
Molecular Weight356.44 g/mol
Exact Mass356.19
IUPAC NameN'-(2,6-diethylphenyl)-N-[2-(2-fluorophenyl)ethyl]propanediamide
SMILESCCc1cccc(CC)c1NC(=O)CC(=O)NCCc1ccccc1F
InChIInChI=1S/C21H25FN2O2/c1-3-15-9-7-10-16(4-2)21(15)24-20(26)14-19(25)23-13-12-17-8-5-6-11-18(17)22/h5-11H,3-4,12-14H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyMAGZZNWQKYMGNG-UHFFFAOYSA-N
XLogP3.64
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-ethyl-6-methylphenyl)-N-[2-(2-fluorophenyl)ethyl]propanediamide
CID 108948276
N-[2-(2-fluorophenyl)ethyl]propanamide
CID 22380876
N'-(2-ethyl-6-methylphenyl)-N-[(2-fluorophenyl)methyl]propanediamide
CID 108946276
N'-(4-ethoxyphenyl)-N-[2-(2-fluorophenyl)ethyl]propanediamide
CID 108948303
N'-[2-(2-fluorophenyl)ethyl]-N-(2-phenylethyl)propanediamide
CID 108947912
2-(2-fluorophenyl)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 78792118
N-[2-(2-fluorophenyl)ethyl]-N'-(4-propan-2-ylphenyl)propanediamide
CID 108948278
N'-(2-ethyl-6-methylphenyl)-N-(2-phenylethyl)propanediamide
CID 108947975
1-(2-ethylphenyl)-3-[2-(2-fluorophenyl)ethyl]urea
CID 108900106
N'-(5-chloro-2-methylphenyl)-N-[2-(2-fluorophenyl)ethyl]propanediamide
CID 108948290
methyl 2-[[3-[2-(2-fluorophenyl)ethylamino]-3-oxopropanoyl]amino]benzoate
CID 108948317
N-(2,6-dimethylphenyl)-2-[2-(2-fluorophenyl)ethylamino]acetamide
CID 109000172

Frequently Asked Questions

What is the IUPAC name of N'-(2,6-diethylphenyl)-N-[2-(2-fluorophenyl)ethyl]propanediamide?
The IUPAC name of N'-(2,6-diethylphenyl)-N-[2-(2-fluorophenyl)ethyl]propanediamide (CID 108948280) is N'-(2,6-diethylphenyl)-N-[2-(2-fluorophenyl)ethyl]propanediamide.
What is the SMILES notation for N'-(2,6-diethylphenyl)-N-[2-(2-fluorophenyl)ethyl]propanediamide?
The canonical SMILES for N'-(2,6-diethylphenyl)-N-[2-(2-fluorophenyl)ethyl]propanediamide is CCc1cccc(CC)c1NC(=O)CC(=O)NCCc1ccccc1F.
What is the InChIKey of N'-(2,6-diethylphenyl)-N-[2-(2-fluorophenyl)ethyl]propanediamide?
The InChIKey is MAGZZNWQKYMGNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O2/c1-3-15-9-7-10-16(4-2)21(15)24-20(26)14-19(25)23-13-12-17-8-5-6-11-18(17)22/h5-11H,3-4,12-14H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of N'-(2,6-diethylphenyl)-N-[2-(2-fluorophenyl)ethyl]propanediamide?
N'-(2,6-diethylphenyl)-N-[2-(2-fluorophenyl)ethyl]propanediamide has a molecular weight of 356.44 g/mol, XLogP of 3.64, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,6-diethylphenyl)-N-[2-(2-fluorophenyl)ethyl]propanediamide is sourced from PubChem (CID 108948280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).