N-[1-(4-ethylphenyl)ethyl]-4-fluorobenzamide

C17H18FNO — CID 3693136

IUPACN-[1-(4-ethylphenyl)ethyl]-4-fluorobenzamide
SMILESCCc1ccc(C(C)NC(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C17H18FNO/c1-3-13-4-6-14(7-5-13)12(2)19-17(20)15-8-10-16(18)11-9-15/h4-12H,3H2,1-2H3,(H,19,20)
InChIKeyPIZGBQDLLWXRBH-UHFFFAOYSA-N
MW271.33 g/mol
LogP3.88
Rot. Bonds4

About N-[1-(4-ethylphenyl)ethyl]-4-fluorobenzamide

N-[1-(4-ethylphenyl)ethyl]-4-fluorobenzamide (PubChem CID 3693136) has the molecular formula C17H18FNO and a molecular weight of 271.33 g/mol. Its IUPAC name is N-[1-(4-ethylphenyl)ethyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[1-(4-ethylphenyl)ethyl]-4-fluorobenzamide
PubChem CID3693136
Molecular FormulaC17H18FNO
Molecular Weight271.33 g/mol
Exact Mass271.14
IUPAC NameN-[1-(4-ethylphenyl)ethyl]-4-fluorobenzamide
SMILESCCc1ccc(C(C)NC(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C17H18FNO/c1-3-13-4-6-14(7-5-13)12(2)19-17(20)15-8-10-16(18)11-9-15/h4-12H,3H2,1-2H3,(H,19,20)
InChIKeyPIZGBQDLLWXRBH-UHFFFAOYSA-N
XLogP3.88
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.33
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethylphenyl)ethyl]-4-fluorobenzamide?
The IUPAC name of N-[1-(4-ethylphenyl)ethyl]-4-fluorobenzamide (CID 3693136) is N-[1-(4-ethylphenyl)ethyl]-4-fluorobenzamide.
What is the SMILES notation for N-[1-(4-ethylphenyl)ethyl]-4-fluorobenzamide?
The canonical SMILES for N-[1-(4-ethylphenyl)ethyl]-4-fluorobenzamide is CCc1ccc(C(C)NC(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of N-[1-(4-ethylphenyl)ethyl]-4-fluorobenzamide?
The InChIKey is PIZGBQDLLWXRBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO/c1-3-13-4-6-14(7-5-13)12(2)19-17(20)15-8-10-16(18)11-9-15/h4-12H,3H2,1-2H3,(H,19,20).
What are the key properties of N-[1-(4-ethylphenyl)ethyl]-4-fluorobenzamide?
N-[1-(4-ethylphenyl)ethyl]-4-fluorobenzamide has a molecular weight of 271.33 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethylphenyl)ethyl]-4-fluorobenzamide is sourced from PubChem (CID 3693136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).