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

C21H24FN3O3 — CID 108948326

IUPACN-[2-(2-fluorophenyl)ethyl]-N'-(2-morpholin-4-ylphenyl)propanediamide
SMILESO=C(CC(=O)Nc1ccccc1N1CCOCC1)NCCc1ccccc1F
InChIInChI=1S/C21H24FN3O3/c22-17-6-2-1-5-16(17)9-10-23-20(26)15-21(27)24-18-7-3-4-8-19(18)25-11-13-28-14-12-25/h1-8H,9-15H2,(H,23,26)(H,24,27)
InChIKeyDARIFRQLRVIAJA-UHFFFAOYSA-N
MW385.44 g/mol
LogP2.35
Rot. Bonds7

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

N-[2-(2-fluorophenyl)ethyl]-N'-(2-morpholin-4-ylphenyl)propanediamide (PubChem CID 108948326) has the molecular formula C21H24FN3O3 and a molecular weight of 385.44 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)ethyl]-N'-(2-morpholin-4-ylphenyl)propanediamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)ethyl]-N'-(2-morpholin-4-ylphenyl)propanediamide
PubChem CID108948326
Molecular FormulaC21H24FN3O3
Molecular Weight385.44 g/mol
Exact Mass385.18
IUPAC NameN-[2-(2-fluorophenyl)ethyl]-N'-(2-morpholin-4-ylphenyl)propanediamide
SMILESO=C(CC(=O)Nc1ccccc1N1CCOCC1)NCCc1ccccc1F
InChIInChI=1S/C21H24FN3O3/c22-17-6-2-1-5-16(17)9-10-23-20(26)15-21(27)24-18-7-3-4-8-19(18)25-11-13-28-14-12-25/h1-8H,9-15H2,(H,23,26)(H,24,27)
InChIKeyDARIFRQLRVIAJA-UHFFFAOYSA-N
XLogP2.35
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-morpholin-4-ylanilino)-2-oxoethyl]acetamide
CID 113000301
N-(2-morpholin-4-ylphenyl)-3-oxobutanamide
CID 18071535
N'-(5-methyl-1,2-oxazol-3-yl)-N-(2-morpholin-4-ylphenyl)propanediamide
CID 108956543
2-(2-aminophenyl)-N-(2-morpholin-4-ylphenyl)acetamide
CID 28712686
2-(2-fluorophenyl)-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 7492204
2-bromo-N-(2-morpholin-4-ylphenyl)acetamide
CID 60650852
[2-(2-morpholin-4-ylanilino)-2-oxoethyl] 2-fluorobenzoate
CID 4626672
N-(3,4-dimethylphenyl)-N'-(2-morpholin-4-ylphenyl)propanediamide
CID 108953647
1-(2-morpholin-4-ylphenyl)-3-propylurea
CID 110755134
methyl 2-[[3-[2-(2-fluorophenyl)ethylamino]-3-oxopropanoyl]amino]benzoate
CID 108948317
N'-(2,6-diethylphenyl)-N-[2-(2-fluorophenyl)ethyl]propanediamide
CID 108948280
N-(1,3-benzodioxol-5-yl)-N'-(2-morpholin-4-ylphenyl)propanediamide
CID 108956531

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)ethyl]-N'-(2-morpholin-4-ylphenyl)propanediamide?
The IUPAC name of N-[2-(2-fluorophenyl)ethyl]-N'-(2-morpholin-4-ylphenyl)propanediamide (CID 108948326) is N-[2-(2-fluorophenyl)ethyl]-N'-(2-morpholin-4-ylphenyl)propanediamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)ethyl]-N'-(2-morpholin-4-ylphenyl)propanediamide?
The canonical SMILES for N-[2-(2-fluorophenyl)ethyl]-N'-(2-morpholin-4-ylphenyl)propanediamide is O=C(CC(=O)Nc1ccccc1N1CCOCC1)NCCc1ccccc1F.
What is the InChIKey of N-[2-(2-fluorophenyl)ethyl]-N'-(2-morpholin-4-ylphenyl)propanediamide?
The InChIKey is DARIFRQLRVIAJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O3/c22-17-6-2-1-5-16(17)9-10-23-20(26)15-21(27)24-18-7-3-4-8-19(18)25-11-13-28-14-12-25/h1-8H,9-15H2,(H,23,26)(H,24,27).
What are the key properties of N-[2-(2-fluorophenyl)ethyl]-N'-(2-morpholin-4-ylphenyl)propanediamide?
N-[2-(2-fluorophenyl)ethyl]-N'-(2-morpholin-4-ylphenyl)propanediamide has a molecular weight of 385.44 g/mol, XLogP of 2.35, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)ethyl]-N'-(2-morpholin-4-ylphenyl)propanediamide is sourced from PubChem (CID 108948326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).