N-[2-(4-fluorophenyl)ethyl]-3-(2-phenylethylamino)propanamide

C19H23FN2O — CID 109024236

IUPACN-[2-(4-fluorophenyl)ethyl]-3-(2-phenylethylamino)propanamide
SMILESO=C(CCNCCc1ccccc1)NCCc1ccc(F)cc1
InChIInChI=1S/C19H23FN2O/c20-18-8-6-17(7-9-18)11-15-22-19(23)12-14-21-13-10-16-4-2-1-3-5-16/h1-9,21H,10-15H2,(H,22,23)
InChIKeyRUUQWIGCWCYSRN-UHFFFAOYSA-N
MW314.40 g/mol
LogP2.71
Rot. Bonds9

About N-[2-(4-fluorophenyl)ethyl]-3-(2-phenylethylamino)propanamide

N-[2-(4-fluorophenyl)ethyl]-3-(2-phenylethylamino)propanamide (PubChem CID 109024236) has the molecular formula C19H23FN2O and a molecular weight of 314.40 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-3-(2-phenylethylamino)propanamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-3-(2-phenylethylamino)propanamide
PubChem CID109024236
Molecular FormulaC19H23FN2O
Molecular Weight314.40 g/mol
Exact Mass314.18
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-3-(2-phenylethylamino)propanamide
SMILESO=C(CCNCCc1ccccc1)NCCc1ccc(F)cc1
InChIInChI=1S/C19H23FN2O/c20-18-8-6-17(7-9-18)11-15-22-19(23)12-14-21-13-10-16-4-2-1-3-5-16/h1-9,21H,10-15H2,(H,22,23)
InChIKeyRUUQWIGCWCYSRN-UHFFFAOYSA-N
XLogP2.71
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.40
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-fluorophenyl)ethyl]-3-[2-(2-fluorophenyl)ethylamino]propanamide
CID 109024783
N-[2-(4-fluorophenyl)ethyl]-4-phenylbutanamide
CID 2288121
N-[2-(4-fluorophenyl)ethyl]-3-[(2-fluorophenyl)methylamino]propanamide
CID 109020851
3-(benzylamino)-N-(2-phenylethyl)propanamide
CID 109018924
N'-[2-(4-fluorophenyl)ethyl]-N-(2-phenylethyl)oxamide
CID 3117526
2-(4-fluorophenyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]acetamide
CID 112993239
3-[2-(cyclohexen-1-yl)ethylamino]-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 109014834
N-[(4-chlorophenyl)methyl]-3-[2-(4-fluorophenyl)ethylamino]propanamide
CID 109021640
N-[2-(4-fluorophenyl)ethyl]-3-phenoxypropanamide
CID 110755527
3-(4-ethylphenyl)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 94866860
N-[2-(4-fluorophenyl)ethyl]butanamide
CID 773504
3-(pentylamino)-N-(2-phenylethyl)propanamide
CID 109024121

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-3-(2-phenylethylamino)propanamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-3-(2-phenylethylamino)propanamide (CID 109024236) is N-[2-(4-fluorophenyl)ethyl]-3-(2-phenylethylamino)propanamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-3-(2-phenylethylamino)propanamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-3-(2-phenylethylamino)propanamide is O=C(CCNCCc1ccccc1)NCCc1ccc(F)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-3-(2-phenylethylamino)propanamide?
The InChIKey is RUUQWIGCWCYSRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O/c20-18-8-6-17(7-9-18)11-15-22-19(23)12-14-21-13-10-16-4-2-1-3-5-16/h1-9,21H,10-15H2,(H,22,23).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-3-(2-phenylethylamino)propanamide?
N-[2-(4-fluorophenyl)ethyl]-3-(2-phenylethylamino)propanamide has a molecular weight of 314.40 g/mol, XLogP of 2.71, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-3-(2-phenylethylamino)propanamide is sourced from PubChem (CID 109024236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).