N-[2-(2-fluorophenyl)ethyl]-N'-(4-propan-2-ylphenyl)propanediamide

C20H23FN2O2 — CID 108948278

IUPACN-[2-(2-fluorophenyl)ethyl]-N'-(4-propan-2-ylphenyl)propanediamide
SMILESCC(C)c1ccc(NC(=O)CC(=O)NCCc2ccccc2F)cc1
InChIInChI=1S/C20H23FN2O2/c1-14(2)15-7-9-17(10-8-15)23-20(25)13-19(24)22-12-11-16-5-3-4-6-18(16)21/h3-10,14H,11-13H2,1-2H3,(H,22,24)(H,23,25)
InChIKeySFXZHYDTSQUJFC-UHFFFAOYSA-N
MW342.41 g/mol
LogP3.64
Rot. Bonds7

About N-[2-(2-fluorophenyl)ethyl]-N'-(4-propan-2-ylphenyl)propanediamide

N-[2-(2-fluorophenyl)ethyl]-N'-(4-propan-2-ylphenyl)propanediamide (PubChem CID 108948278) has the molecular formula C20H23FN2O2 and a molecular weight of 342.41 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)ethyl]-N'-(4-propan-2-ylphenyl)propanediamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)ethyl]-N'-(4-propan-2-ylphenyl)propanediamide
PubChem CID108948278
Molecular FormulaC20H23FN2O2
Molecular Weight342.41 g/mol
Exact Mass342.17
IUPAC NameN-[2-(2-fluorophenyl)ethyl]-N'-(4-propan-2-ylphenyl)propanediamide
SMILESCC(C)c1ccc(NC(=O)CC(=O)NCCc2ccccc2F)cc1
InChIInChI=1S/C20H23FN2O2/c1-14(2)15-7-9-17(10-8-15)23-20(25)13-19(24)22-12-11-16-5-3-4-6-18(16)21/h3-10,14H,11-13H2,1-2H3,(H,22,24)(H,23,25)
InChIKeySFXZHYDTSQUJFC-UHFFFAOYSA-N
XLogP3.64
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
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-(2-fluorophenyl)ethyl]-3-(4-propan-2-ylanilino)propanamide
CID 109024697
N'-(4-ethoxyphenyl)-N-[2-(2-fluorophenyl)ethyl]propanediamide
CID 108948303
2-(2-fluorophenyl)-N-[2-oxo-2-(4-propan-2-ylanilino)ethyl]acetamide
CID 112997195
N'-(2,6-difluorophenyl)-N-(4-propan-2-ylphenyl)propanediamide
CID 108954413
N-[2-(2-fluorophenyl)ethyl]-N'-(1-phenylethyl)propanediamide
CID 108945881
N'-(2,6-diethylphenyl)-N-[2-(2-fluorophenyl)ethyl]propanediamide
CID 108948280
N-[2-(2-fluorophenyl)ethyl]-2-[(4-propan-2-ylphenyl)sulfonylamino]acetamide
CID 112993353
N'-(5-chloro-2-methylphenyl)-N-[2-(2-fluorophenyl)ethyl]propanediamide
CID 108948290
N'-[2-(2-fluorophenyl)ethyl]-N-(2-phenylethyl)propanediamide
CID 108947912
N-[2-(2-fluorophenyl)ethyl]propanamide
CID 22380876
2-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(4-propan-2-ylphenyl)acetamide
CID 113162237
2-(2-fluorophenyl)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 78792118

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)ethyl]-N'-(4-propan-2-ylphenyl)propanediamide?
The IUPAC name of N-[2-(2-fluorophenyl)ethyl]-N'-(4-propan-2-ylphenyl)propanediamide (CID 108948278) is N-[2-(2-fluorophenyl)ethyl]-N'-(4-propan-2-ylphenyl)propanediamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)ethyl]-N'-(4-propan-2-ylphenyl)propanediamide?
The canonical SMILES for N-[2-(2-fluorophenyl)ethyl]-N'-(4-propan-2-ylphenyl)propanediamide is CC(C)c1ccc(NC(=O)CC(=O)NCCc2ccccc2F)cc1.
What is the InChIKey of N-[2-(2-fluorophenyl)ethyl]-N'-(4-propan-2-ylphenyl)propanediamide?
The InChIKey is SFXZHYDTSQUJFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O2/c1-14(2)15-7-9-17(10-8-15)23-20(25)13-19(24)22-12-11-16-5-3-4-6-18(16)21/h3-10,14H,11-13H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of N-[2-(2-fluorophenyl)ethyl]-N'-(4-propan-2-ylphenyl)propanediamide?
N-[2-(2-fluorophenyl)ethyl]-N'-(4-propan-2-ylphenyl)propanediamide has a molecular weight of 342.41 g/mol, XLogP of 3.64, 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'-(4-propan-2-ylphenyl)propanediamide is sourced from PubChem (CID 108948278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).