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

C19H21FN2O2 — CID 108947912

IUPACN'-[2-(2-fluorophenyl)ethyl]-N-(2-phenylethyl)propanediamide
SMILESO=C(CC(=O)NCCc1ccccc1F)NCCc1ccccc1
InChIInChI=1S/C19H21FN2O2/c20-17-9-5-4-8-16(17)11-13-22-19(24)14-18(23)21-12-10-15-6-2-1-3-7-15/h1-9H,10-14H2,(H,21,23)(H,22,24)
InChIKeyZNXZDKJCHKROFS-UHFFFAOYSA-N
MW328.39 g/mol
LogP2.23
Rot. Bonds8

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

N'-[2-(2-fluorophenyl)ethyl]-N-(2-phenylethyl)propanediamide (PubChem CID 108947912) has the molecular formula C19H21FN2O2 and a molecular weight of 328.39 g/mol. Its IUPAC name is N'-[2-(2-fluorophenyl)ethyl]-N-(2-phenylethyl)propanediamide.

Molecular Properties

Compound NameN'-[2-(2-fluorophenyl)ethyl]-N-(2-phenylethyl)propanediamide
PubChem CID108947912
Molecular FormulaC19H21FN2O2
Molecular Weight328.39 g/mol
Exact Mass328.16
IUPAC NameN'-[2-(2-fluorophenyl)ethyl]-N-(2-phenylethyl)propanediamide
SMILESO=C(CC(=O)NCCc1ccccc1F)NCCc1ccccc1
InChIInChI=1S/C19H21FN2O2/c20-17-9-5-4-8-16(17)11-13-22-19(24)14-18(23)21-12-10-15-6-2-1-3-7-15/h1-9H,10-14H2,(H,21,23)(H,22,24)
InChIKeyZNXZDKJCHKROFS-UHFFFAOYSA-N
XLogP2.23
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 52.23
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

2-(2-fluorophenyl)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 78792118
N-[2-(2-fluorophenyl)ethyl]propanamide
CID 22380876
N-[2-(2-fluorophenyl)ethyl]-N'-[(4-methylphenyl)methyl]propanediamide
CID 108945715
2-[[ethylamino-[2-(2-fluorophenyl)ethylamino]methylidene]amino]-N-(2-phenylethyl)acetamide;hydroiodide
CID 111362450
N-[2-(2-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)acetamide
CID 78990913
N-[2-(4-fluorophenyl)ethyl]-3-[2-(2-fluorophenyl)ethylamino]propanamide
CID 109024783
N-[2-(2-fluorophenyl)ethyl]-2-(4-phenylmethoxyphenoxy)acetamide
CID 9199968
N-[2-(2-fluorophenyl)ethyl]-N'-(1-phenylethyl)propanediamide
CID 108945881
2-[(2-fluorophenyl)methyl]-N-(2-phenylethyl)benzamide
CID 174954311
N'-(2,6-diethylphenyl)-N-[2-(2-fluorophenyl)ethyl]propanediamide
CID 108948280
2-[acetyl(3-phenylpropyl)amino]-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 113165811
2-(3,4-dihydroxyphenyl)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 113199033

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-fluorophenyl)ethyl]-N-(2-phenylethyl)propanediamide?
The IUPAC name of N'-[2-(2-fluorophenyl)ethyl]-N-(2-phenylethyl)propanediamide (CID 108947912) is N'-[2-(2-fluorophenyl)ethyl]-N-(2-phenylethyl)propanediamide.
What is the SMILES notation for N'-[2-(2-fluorophenyl)ethyl]-N-(2-phenylethyl)propanediamide?
The canonical SMILES for N'-[2-(2-fluorophenyl)ethyl]-N-(2-phenylethyl)propanediamide is O=C(CC(=O)NCCc1ccccc1F)NCCc1ccccc1.
What is the InChIKey of N'-[2-(2-fluorophenyl)ethyl]-N-(2-phenylethyl)propanediamide?
The InChIKey is ZNXZDKJCHKROFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O2/c20-17-9-5-4-8-16(17)11-13-22-19(24)14-18(23)21-12-10-15-6-2-1-3-7-15/h1-9H,10-14H2,(H,21,23)(H,22,24).
What are the key properties of N'-[2-(2-fluorophenyl)ethyl]-N-(2-phenylethyl)propanediamide?
N'-[2-(2-fluorophenyl)ethyl]-N-(2-phenylethyl)propanediamide has a molecular weight of 328.39 g/mol, XLogP of 2.23, 8 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-(2-phenylethyl)propanediamide is sourced from PubChem (CID 108947912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).