3-(2-aminophenyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]propanamide

C17H19FN2O — CID 107273267

IUPAC3-(2-aminophenyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]propanamide
SMILESC[C@H](NC(=O)CCc1ccccc1N)c1ccc(F)cc1
InChIInChI=1S/C17H19FN2O/c1-12(13-6-9-15(18)10-7-13)20-17(21)11-8-14-4-2-3-5-16(14)19/h2-7,9-10,12H,8,11,19H2,1H3,(H,20,21)/t12-/m0/s1
InChIKeyGCDZOQMCYVLFEC-LBPRGKRZSA-N
MW286.35 g/mol
LogP3.22
Rot. Bonds5

About 3-(2-aminophenyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]propanamide

3-(2-aminophenyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]propanamide (PubChem CID 107273267) has the molecular formula C17H19FN2O and a molecular weight of 286.35 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]propanamide
PubChem CID107273267
Molecular FormulaC17H19FN2O
Molecular Weight286.35 g/mol
Exact Mass286.15
IUPAC Name3-(2-aminophenyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]propanamide
SMILESC[C@H](NC(=O)CCc1ccccc1N)c1ccc(F)cc1
InChIInChI=1S/C17H19FN2O/c1-12(13-6-9-15(18)10-7-13)20-17(21)11-8-14-4-2-3-5-16(14)19/h2-7,9-10,12H,8,11,19H2,1H3,(H,20,21)/t12-/m0/s1
InChIKeyGCDZOQMCYVLFEC-LBPRGKRZSA-N
XLogP3.22
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 ≤ 53.22
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-(2-aminophenyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide
CID 107273266
3-amino-N-[1-(4-fluorophenyl)ethyl]propanamide
CID 61247716
3-(2-aminophenyl)-N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]propanamide;dihydrochloride
CID 120612427
N-[4-[1-[3-(2-aminophenyl)propanoylamino]ethyl]phenyl]cyclopropanecarboxamide
CID 120609013
3-(2-aminophenyl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide
CID 120608273
3-(4-fluorophenyl)-N-(1-phenylethyl)propanamide
CID 47112649
3-(2-aminophenyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
CID 107329630
3-(3-aminophenyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]propanamide
CID 115341627
N-[1-(3-acetamidophenyl)ethyl]-3-(2-aminophenyl)propanamide
CID 120608696
3-(2-aminophenyl)-N-[1-(2-chlorophenyl)ethyl]propanamide
CID 107273000
N-[1-(4-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)acetamide
CID 78916745
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-phenylacetamide
CID 2713141

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]propanamide?
The IUPAC name of 3-(2-aminophenyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]propanamide (CID 107273267) is 3-(2-aminophenyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]propanamide.
What is the SMILES notation for 3-(2-aminophenyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]propanamide?
The canonical SMILES for 3-(2-aminophenyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]propanamide is C[C@H](NC(=O)CCc1ccccc1N)c1ccc(F)cc1.
What is the InChIKey of 3-(2-aminophenyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]propanamide?
The InChIKey is GCDZOQMCYVLFEC-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H19FN2O/c1-12(13-6-9-15(18)10-7-13)20-17(21)11-8-14-4-2-3-5-16(14)19/h2-7,9-10,12H,8,11,19H2,1H3,(H,20,21)/t12-/m0/s1.
What are the key properties of 3-(2-aminophenyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]propanamide?
3-(2-aminophenyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]propanamide has a molecular weight of 286.35 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]propanamide is sourced from PubChem (CID 107273267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).