N-[2-(4-fluorophenyl)ethyl]-3-phenylpropanamide

C17H18FNO — CID 2287814

IUPACN-[2-(4-fluorophenyl)ethyl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)NCCc1ccc(F)cc1
InChIInChI=1S/C17H18FNO/c18-16-9-6-15(7-10-16)12-13-19-17(20)11-8-14-4-2-1-3-5-14/h1-7,9-10H,8,11-13H2,(H,19,20)
InChIKeyUHUXQUSEVUEHII-UHFFFAOYSA-N
MW271.34 g/mol
LogP3.12
Rot. Bonds6

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

N-[2-(4-fluorophenyl)ethyl]-3-phenylpropanamide (PubChem CID 2287814) has the molecular formula C17H18FNO and a molecular weight of 271.34 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-3-phenylpropanamide
PubChem CID2287814
Molecular FormulaC17H18FNO
Molecular Weight271.34 g/mol
Exact Mass271.14
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)NCCc1ccc(F)cc1
InChIInChI=1S/C17H18FNO/c18-16-9-6-15(7-10-16)12-13-19-17(20)11-8-14-4-2-1-3-5-14/h1-7,9-10H,8,11-13H2,(H,19,20)
InChIKeyUHUXQUSEVUEHII-UHFFFAOYSA-N
XLogP3.12
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-3-phenylpropanamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-3-phenylpropanamide (CID 2287814) is N-[2-(4-fluorophenyl)ethyl]-3-phenylpropanamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-3-phenylpropanamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-3-phenylpropanamide is O=C(CCc1ccccc1)NCCc1ccc(F)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-3-phenylpropanamide?
The InChIKey is UHUXQUSEVUEHII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO/c18-16-9-6-15(7-10-16)12-13-19-17(20)11-8-14-4-2-1-3-5-14/h1-7,9-10H,8,11-13H2,(H,19,20).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-3-phenylpropanamide?
N-[2-(4-fluorophenyl)ethyl]-3-phenylpropanamide has a molecular weight of 271.34 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-3-phenylpropanamide is sourced from PubChem (CID 2287814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).