3-amino-N-[2-(2-fluorophenyl)ethyl]-2-phenylpropanamide

C17H19FN2O — CID 62877979

IUPAC3-amino-N-[2-(2-fluorophenyl)ethyl]-2-phenylpropanamide
SMILESNCC(C(=O)NCCc1ccccc1F)c1ccccc1
InChIInChI=1S/C17H19FN2O/c18-16-9-5-4-8-14(16)10-11-20-17(21)15(12-19)13-6-2-1-3-7-13/h1-9,15H,10-12,19H2,(H,20,21)
InChIKeyHMSKMMRIZSGWIP-UHFFFAOYSA-N
MW286.35 g/mol
LogP2.23
Rot. Bonds6

About 3-amino-N-[2-(2-fluorophenyl)ethyl]-2-phenylpropanamide

3-amino-N-[2-(2-fluorophenyl)ethyl]-2-phenylpropanamide (PubChem CID 62877979) has the molecular formula C17H19FN2O and a molecular weight of 286.35 g/mol. Its IUPAC name is 3-amino-N-[2-(2-fluorophenyl)ethyl]-2-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-[2-(2-fluorophenyl)ethyl]-2-phenylpropanamide
PubChem CID62877979
Molecular FormulaC17H19FN2O
Molecular Weight286.35 g/mol
Exact Mass286.15
IUPAC Name3-amino-N-[2-(2-fluorophenyl)ethyl]-2-phenylpropanamide
SMILESNCC(C(=O)NCCc1ccccc1F)c1ccccc1
InChIInChI=1S/C17H19FN2O/c18-16-9-5-4-8-14(16)10-11-20-17(21)15(12-19)13-6-2-1-3-7-13/h1-9,15H,10-12,19H2,(H,20,21)
InChIKeyHMSKMMRIZSGWIP-UHFFFAOYSA-N
XLogP2.23
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 ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-2-phenyl-N-(2-phenylethyl)propanamide
CID 62879042
1-benzhydryl-3-[2-(2-fluorophenyl)ethyl]urea
CID 41304292
1-[2-(2-fluorophenyl)ethyl]-3-(2-hydroxy-1-phenylethyl)urea
CID 110895025
N-[2-(2-fluorophenyl)ethyl]-N'-(1-phenylethyl)propanediamide
CID 108945881
5-[(3-amino-2-phenylpropanoyl)amino]pentanamide
CID 106235045
3-amino-N-[(1R)-1-(2-fluorophenyl)ethyl]-2-phenylpropanamide
CID 81375006
4-amino-5-[2-(2-fluorophenyl)ethylamino]-5-oxopentanoic acid
CID 64894439
2-(3-aminophenyl)-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 106590796
3-amino-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-2-phenylpropanamide
CID 106397844
2-amino-3,3,3-trifluoro-N-[2-(2-fluorophenyl)ethyl]-2-methylpropanamide
CID 79797317
3-amino-N-[3-(dimethylamino)-3-oxopropyl]-2-phenylpropanamide
CID 62878003
N-[2-(2-fluorophenyl)ethyl]propanamide
CID 22380876

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(2-fluorophenyl)ethyl]-2-phenylpropanamide?
The IUPAC name of 3-amino-N-[2-(2-fluorophenyl)ethyl]-2-phenylpropanamide (CID 62877979) is 3-amino-N-[2-(2-fluorophenyl)ethyl]-2-phenylpropanamide.
What is the SMILES notation for 3-amino-N-[2-(2-fluorophenyl)ethyl]-2-phenylpropanamide?
The canonical SMILES for 3-amino-N-[2-(2-fluorophenyl)ethyl]-2-phenylpropanamide is NCC(C(=O)NCCc1ccccc1F)c1ccccc1.
What is the InChIKey of 3-amino-N-[2-(2-fluorophenyl)ethyl]-2-phenylpropanamide?
The InChIKey is HMSKMMRIZSGWIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O/c18-16-9-5-4-8-14(16)10-11-20-17(21)15(12-19)13-6-2-1-3-7-13/h1-9,15H,10-12,19H2,(H,20,21).
What are the key properties of 3-amino-N-[2-(2-fluorophenyl)ethyl]-2-phenylpropanamide?
3-amino-N-[2-(2-fluorophenyl)ethyl]-2-phenylpropanamide has a molecular weight of 286.35 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(2-fluorophenyl)ethyl]-2-phenylpropanamide is sourced from PubChem (CID 62877979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).