N-[2-(2-fluorophenyl)ethyl]-N'-(1-phenylethyl)propanediamide

C19H21FN2O2 — CID 108945881

IUPACN-[2-(2-fluorophenyl)ethyl]-N'-(1-phenylethyl)propanediamide
SMILESCC(NC(=O)CC(=O)NCCc1ccccc1F)c1ccccc1
InChIInChI=1S/C19H21FN2O2/c1-14(15-7-3-2-4-8-15)22-19(24)13-18(23)21-12-11-16-9-5-6-10-17(16)20/h2-10,14H,11-13H2,1H3,(H,21,23)(H,22,24)
InChIKeyUCOLWYBFJYKTFW-UHFFFAOYSA-N
MW328.39 g/mol
LogP2.75
Rot. Bonds7

About N-[2-(2-fluorophenyl)ethyl]-N'-(1-phenylethyl)propanediamide

N-[2-(2-fluorophenyl)ethyl]-N'-(1-phenylethyl)propanediamide (PubChem CID 108945881) has the molecular formula C19H21FN2O2 and a molecular weight of 328.39 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)ethyl]-N'-(1-phenylethyl)propanediamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)ethyl]-N'-(1-phenylethyl)propanediamide
PubChem CID108945881
Molecular FormulaC19H21FN2O2
Molecular Weight328.39 g/mol
Exact Mass328.16
IUPAC NameN-[2-(2-fluorophenyl)ethyl]-N'-(1-phenylethyl)propanediamide
SMILESCC(NC(=O)CC(=O)NCCc1ccccc1F)c1ccccc1
InChIInChI=1S/C19H21FN2O2/c1-14(15-7-3-2-4-8-15)22-19(24)13-18(23)21-12-11-16-9-5-6-10-17(16)20/h2-10,14H,11-13H2,1H3,(H,21,23)(H,22,24)
InChIKeyUCOLWYBFJYKTFW-UHFFFAOYSA-N
XLogP2.75
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 52.75
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

1-N-[2-(2-fluorophenyl)ethyl]-4-N-(1-phenylethyl)cyclohexane-1,4-dicarboxamide
CID 109148209
N'-[2-(2-fluorophenyl)ethyl]-N-(2-phenylethyl)propanediamide
CID 108947912
N-[2-(2-fluorophenyl)ethyl]propanamide
CID 22380876
N-[2-(2-fluorophenyl)ethyl]-N'-(4-propan-2-ylphenyl)propanediamide
CID 108948278
1-benzhydryl-3-[2-(2-fluorophenyl)ethyl]urea
CID 41304292
2-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-(1-phenylethyl)acetamide
CID 113164165
2-(2-fluorophenyl)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 78792118
3-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-(1-phenylethyl)propanamide
CID 113120928
3-amino-N-[2-(2-fluorophenyl)ethyl]-2-phenylpropanamide
CID 62877979
2-[2-(2-fluorophenyl)ethylcarbamoylamino]propanoic acid
CID 3657012
2-[(2-fluorophenyl)methylsulfonylamino]-N-(1-phenylethyl)acetamide
CID 21148291
N'-(2,6-diethylphenyl)-N-[2-(2-fluorophenyl)ethyl]propanediamide
CID 108948280

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)ethyl]-N'-(1-phenylethyl)propanediamide?
The IUPAC name of N-[2-(2-fluorophenyl)ethyl]-N'-(1-phenylethyl)propanediamide (CID 108945881) is N-[2-(2-fluorophenyl)ethyl]-N'-(1-phenylethyl)propanediamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)ethyl]-N'-(1-phenylethyl)propanediamide?
The canonical SMILES for N-[2-(2-fluorophenyl)ethyl]-N'-(1-phenylethyl)propanediamide is CC(NC(=O)CC(=O)NCCc1ccccc1F)c1ccccc1.
What is the InChIKey of N-[2-(2-fluorophenyl)ethyl]-N'-(1-phenylethyl)propanediamide?
The InChIKey is UCOLWYBFJYKTFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O2/c1-14(15-7-3-2-4-8-15)22-19(24)13-18(23)21-12-11-16-9-5-6-10-17(16)20/h2-10,14H,11-13H2,1H3,(H,21,23)(H,22,24).
What are the key properties of N-[2-(2-fluorophenyl)ethyl]-N'-(1-phenylethyl)propanediamide?
N-[2-(2-fluorophenyl)ethyl]-N'-(1-phenylethyl)propanediamide has a molecular weight of 328.39 g/mol, XLogP of 2.75, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)ethyl]-N'-(1-phenylethyl)propanediamide is sourced from PubChem (CID 108945881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).