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

C17H19FN2O — CID 28713362

IUPAC3-(3-aminophenyl)-N-[2-(4-fluorophenyl)ethyl]propanamide
SMILESNc1cccc(CCC(=O)NCCc2ccc(F)cc2)c1
InChIInChI=1S/C17H19FN2O/c18-15-7-4-13(5-8-15)10-11-20-17(21)9-6-14-2-1-3-16(19)12-14/h1-5,7-8,12H,6,9-11,19H2,(H,20,21)
InChIKeyYFSXGFFTSFWJGM-UHFFFAOYSA-N
MW286.35 g/mol
LogP2.70
Rot. Bonds6

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

3-(3-aminophenyl)-N-[2-(4-fluorophenyl)ethyl]propanamide (PubChem CID 28713362) has the molecular formula C17H19FN2O and a molecular weight of 286.35 g/mol. Its IUPAC name is 3-(3-aminophenyl)-N-[2-(4-fluorophenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(3-aminophenyl)-N-[2-(4-fluorophenyl)ethyl]propanamide
PubChem CID28713362
Molecular FormulaC17H19FN2O
Molecular Weight286.35 g/mol
Exact Mass286.15
IUPAC Name3-(3-aminophenyl)-N-[2-(4-fluorophenyl)ethyl]propanamide
SMILESNc1cccc(CCC(=O)NCCc2ccc(F)cc2)c1
InChIInChI=1S/C17H19FN2O/c18-15-7-4-13(5-8-15)10-11-20-17(21)9-6-14-2-1-3-16(19)12-14/h1-5,7-8,12H,6,9-11,19H2,(H,20,21)
InChIKeyYFSXGFFTSFWJGM-UHFFFAOYSA-N
XLogP2.70
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 52.70
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

3-(3-aminophenyl)-N-[2-(3-chlorophenyl)ethyl]propanamide
CID 28713453
3-(3-aminophenyl)-N-(3-phenylpropyl)propanamide
CID 28713423
3-(3-aminophenyl)-N-propylpropanamide
CID 28713263
3-(3-aminophenyl)-N-[(3-fluorophenyl)methyl]propanamide
CID 43309221
N-[2-(4-aminophenyl)ethyl]-3-phenylpropanamide
CID 39367183
3-(4-ethylphenyl)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 94866860
3-(3-aminophenyl)-N-(2-methylsulfinylethyl)propanamide
CID 113479619
6-[3-(3-aminophenyl)propanoylamino]hexanoic acid
CID 115341245
N-[2-(4-fluorophenyl)ethyl]-4-phenylbutanamide
CID 2288121
3-(3-aminophenyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]propanamide
CID 115341627
N-[2-(4-aminophenyl)ethyl]-3-(3-methoxyphenyl)propanamide
CID 119549328
(4-fluorophenyl)methyl 3-(3-aminophenyl)propanoate
CID 80701666

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminophenyl)-N-[2-(4-fluorophenyl)ethyl]propanamide?
The IUPAC name of 3-(3-aminophenyl)-N-[2-(4-fluorophenyl)ethyl]propanamide (CID 28713362) is 3-(3-aminophenyl)-N-[2-(4-fluorophenyl)ethyl]propanamide.
What is the SMILES notation for 3-(3-aminophenyl)-N-[2-(4-fluorophenyl)ethyl]propanamide?
The canonical SMILES for 3-(3-aminophenyl)-N-[2-(4-fluorophenyl)ethyl]propanamide is Nc1cccc(CCC(=O)NCCc2ccc(F)cc2)c1.
What is the InChIKey of 3-(3-aminophenyl)-N-[2-(4-fluorophenyl)ethyl]propanamide?
The InChIKey is YFSXGFFTSFWJGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O/c18-15-7-4-13(5-8-15)10-11-20-17(21)9-6-14-2-1-3-16(19)12-14/h1-5,7-8,12H,6,9-11,19H2,(H,20,21).
What are the key properties of 3-(3-aminophenyl)-N-[2-(4-fluorophenyl)ethyl]propanamide?
3-(3-aminophenyl)-N-[2-(4-fluorophenyl)ethyl]propanamide has a molecular weight of 286.35 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminophenyl)-N-[2-(4-fluorophenyl)ethyl]propanamide is sourced from PubChem (CID 28713362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).