2-(3-aminophenyl)-N-[2-(2-fluorophenyl)ethyl]propanamide

C17H19FN2O — CID 106590796

IUPAC2-(3-aminophenyl)-N-[2-(2-fluorophenyl)ethyl]propanamide
SMILESCC(C(=O)NCCc1ccccc1F)c1cccc(N)c1
InChIInChI=1S/C17H19FN2O/c1-12(14-6-4-7-15(19)11-14)17(21)20-10-9-13-5-2-3-8-16(13)18/h2-8,11-12H,9-10,19H2,1H3,(H,20,21)
InChIKeyJLAHMBWLTNAFKR-UHFFFAOYSA-N
MW286.35 g/mol
LogP2.87
Rot. Bonds5

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

2-(3-aminophenyl)-N-[2-(2-fluorophenyl)ethyl]propanamide (PubChem CID 106590796) has the molecular formula C17H19FN2O and a molecular weight of 286.35 g/mol. Its IUPAC name is 2-(3-aminophenyl)-N-[2-(2-fluorophenyl)ethyl]propanamide.

Molecular Properties

Compound Name2-(3-aminophenyl)-N-[2-(2-fluorophenyl)ethyl]propanamide
PubChem CID106590796
Molecular FormulaC17H19FN2O
Molecular Weight286.35 g/mol
Exact Mass286.15
IUPAC Name2-(3-aminophenyl)-N-[2-(2-fluorophenyl)ethyl]propanamide
SMILESCC(C(=O)NCCc1ccccc1F)c1cccc(N)c1
InChIInChI=1S/C17H19FN2O/c1-12(14-6-4-7-15(19)11-14)17(21)20-10-9-13-5-2-3-8-16(13)18/h2-8,11-12H,9-10,19H2,1H3,(H,20,21)
InChIKeyJLAHMBWLTNAFKR-UHFFFAOYSA-N
XLogP2.87
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3-aminophenyl)-N-[2-(4-hydroxyphenyl)ethyl]propanamide
CID 106591189
2-(3-aminophenyl)-N-(3,3-dimethylbutyl)propanamide
CID 106591847
2-(3-aminophenyl)-N-(2-phenylpropyl)propanamide
CID 106591039
2-(3-aminophenyl)-N-(4-methylpentyl)propanamide
CID 106591173
2-(3-aminophenyl)-N-(3-methyl-2-propan-2-ylbutyl)propanamide
CID 106591920
2-(3-aminophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]propanamide
CID 106591544
3-amino-N-[2-(2-fluorophenyl)ethyl]-2-phenylpropanamide
CID 62877979
tert-butyl N-[2-[2-(3-aminophenyl)propanoylamino]ethyl]carbamate
CID 106591886
2-(3-aminophenyl)-N-(2,3,3-trimethylbutyl)propanamide
CID 106591730
2-(3-aminophenyl)-N-(2-chloro-6-fluorophenyl)propanamide
CID 106591868
2-(3-aminophenyl)-N-(2-ethyl-2-hydroxybutyl)propanamide
CID 106591538
N-[2-(2-fluorophenyl)ethyl]-N'-(1-phenylethyl)propanediamide
CID 108945881

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)-N-[2-(2-fluorophenyl)ethyl]propanamide?
The IUPAC name of 2-(3-aminophenyl)-N-[2-(2-fluorophenyl)ethyl]propanamide (CID 106590796) is 2-(3-aminophenyl)-N-[2-(2-fluorophenyl)ethyl]propanamide.
What is the SMILES notation for 2-(3-aminophenyl)-N-[2-(2-fluorophenyl)ethyl]propanamide?
The canonical SMILES for 2-(3-aminophenyl)-N-[2-(2-fluorophenyl)ethyl]propanamide is CC(C(=O)NCCc1ccccc1F)c1cccc(N)c1.
What is the InChIKey of 2-(3-aminophenyl)-N-[2-(2-fluorophenyl)ethyl]propanamide?
The InChIKey is JLAHMBWLTNAFKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O/c1-12(14-6-4-7-15(19)11-14)17(21)20-10-9-13-5-2-3-8-16(13)18/h2-8,11-12H,9-10,19H2,1H3,(H,20,21).
What are the key properties of 2-(3-aminophenyl)-N-[2-(2-fluorophenyl)ethyl]propanamide?
2-(3-aminophenyl)-N-[2-(2-fluorophenyl)ethyl]propanamide has a molecular weight of 286.35 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)-N-[2-(2-fluorophenyl)ethyl]propanamide is sourced from PubChem (CID 106590796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).