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

C17H19FN2O — CID 61117007

IUPAC3-(4-aminophenyl)-N-[1-(2-fluorophenyl)ethyl]propanamide
SMILESCC(NC(=O)CCc1ccc(N)cc1)c1ccccc1F
InChIInChI=1S/C17H19FN2O/c1-12(15-4-2-3-5-16(15)18)20-17(21)11-8-13-6-9-14(19)10-7-13/h2-7,9-10,12H,8,11,19H2,1H3,(H,20,21)
InChIKeyCALMTBFJLJNTAI-UHFFFAOYSA-N
MW286.35 g/mol
LogP3.22
Rot. Bonds5

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

3-(4-aminophenyl)-N-[1-(2-fluorophenyl)ethyl]propanamide (PubChem CID 61117007) has the molecular formula C17H19FN2O and a molecular weight of 286.35 g/mol. Its IUPAC name is 3-(4-aminophenyl)-N-[1-(2-fluorophenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(4-aminophenyl)-N-[1-(2-fluorophenyl)ethyl]propanamide
PubChem CID61117007
Molecular FormulaC17H19FN2O
Molecular Weight286.35 g/mol
Exact Mass286.15
IUPAC Name3-(4-aminophenyl)-N-[1-(2-fluorophenyl)ethyl]propanamide
SMILESCC(NC(=O)CCc1ccc(N)cc1)c1ccccc1F
InChIInChI=1S/C17H19FN2O/c1-12(15-4-2-3-5-16(15)18)20-17(21)11-8-13-6-9-14(19)10-7-13/h2-7,9-10,12H,8,11,19H2,1H3,(H,20,21)
InChIKeyCALMTBFJLJNTAI-UHFFFAOYSA-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': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(4-aminophenyl)-N-[(1S)-1-(2-methylphenyl)ethyl]propanamide
CID 115341658
N-[1-(2-fluorophenyl)ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 47007316
4-[[(1S)-1-(2-fluorophenyl)ethyl]amino]-4-oxobutanoic acid
CID 81380068
N-[1-(2,5-difluorophenyl)ethyl]-3-phenylpropanamide
CID 46591216
ethyl 4-[[(1R)-1-(2-fluorophenyl)ethyl]amino]-4-oxobutanoate
CID 81380473
3-amino-N-[1-(2-fluorophenyl)ethyl]butanamide
CID 60927923
N-[cyano-(2-fluorophenyl)methyl]-3-(4-propan-2-ylphenyl)propanamide
CID 56571896
2-chloro-N-[(1S)-1-(2-fluorophenyl)ethyl]acetamide
CID 166408408
N-[1-(2,4-difluorophenyl)ethyl]-3-(4-hydroxyphenyl)propanamide
CID 177351939
N-[(1R)-1-(2-fluorophenyl)ethyl]-4-(propan-2-ylamino)butanamide
CID 81380845
3-(4-aminophenyl)-N-pentan-2-ylpropanamide
CID 43309033
3-(4-chlorophenyl)-N-[1-(2,4-difluorophenyl)ethyl]propanamide
CID 43035582

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenyl)-N-[1-(2-fluorophenyl)ethyl]propanamide?
The IUPAC name of 3-(4-aminophenyl)-N-[1-(2-fluorophenyl)ethyl]propanamide (CID 61117007) is 3-(4-aminophenyl)-N-[1-(2-fluorophenyl)ethyl]propanamide.
What is the SMILES notation for 3-(4-aminophenyl)-N-[1-(2-fluorophenyl)ethyl]propanamide?
The canonical SMILES for 3-(4-aminophenyl)-N-[1-(2-fluorophenyl)ethyl]propanamide is CC(NC(=O)CCc1ccc(N)cc1)c1ccccc1F.
What is the InChIKey of 3-(4-aminophenyl)-N-[1-(2-fluorophenyl)ethyl]propanamide?
The InChIKey is CALMTBFJLJNTAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O/c1-12(15-4-2-3-5-16(15)18)20-17(21)11-8-13-6-9-14(19)10-7-13/h2-7,9-10,12H,8,11,19H2,1H3,(H,20,21).
What are the key properties of 3-(4-aminophenyl)-N-[1-(2-fluorophenyl)ethyl]propanamide?
3-(4-aminophenyl)-N-[1-(2-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-(4-aminophenyl)-N-[1-(2-fluorophenyl)ethyl]propanamide is sourced from PubChem (CID 61117007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).