N-[4-[2-(2-fluorophenoxy)acetyl]phenyl]butanamide

C18H18FNO3 — CID 7434033

IUPACN-[4-[2-(2-fluorophenoxy)acetyl]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(C(=O)COc2ccccc2F)cc1
InChIInChI=1S/C18H18FNO3/c1-2-5-18(22)20-14-10-8-13(9-11-14)16(21)12-23-17-7-4-3-6-15(17)19/h3-4,6-11H,2,5,12H2,1H3,(H,20,22)
InChIKeyLQBKRHDLCRLVFS-UHFFFAOYSA-N
MW315.34 g/mol
LogP3.83
Rot. Bonds7

About N-[4-[2-(2-fluorophenoxy)acetyl]phenyl]butanamide

N-[4-[2-(2-fluorophenoxy)acetyl]phenyl]butanamide (PubChem CID 7434033) has the molecular formula C18H18FNO3 and a molecular weight of 315.34 g/mol. Its IUPAC name is N-[4-[2-(2-fluorophenoxy)acetyl]phenyl]butanamide.

Molecular Properties

Compound NameN-[4-[2-(2-fluorophenoxy)acetyl]phenyl]butanamide
PubChem CID7434033
Molecular FormulaC18H18FNO3
Molecular Weight315.34 g/mol
Exact Mass315.13
IUPAC NameN-[4-[2-(2-fluorophenoxy)acetyl]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(C(=O)COc2ccccc2F)cc1
InChIInChI=1S/C18H18FNO3/c1-2-5-18(22)20-14-10-8-13(9-11-14)16(21)12-23-17-7-4-3-6-15(17)19/h3-4,6-11H,2,5,12H2,1H3,(H,20,22)
InChIKeyLQBKRHDLCRLVFS-UHFFFAOYSA-N
XLogP3.83
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.34
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[4-[2-(2-fluorophenoxy)acetyl]phenyl]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(2-fluorophenoxy)acetyl]phenyl]butanamide?
The IUPAC name of N-[4-[2-(2-fluorophenoxy)acetyl]phenyl]butanamide (CID 7434033) is N-[4-[2-(2-fluorophenoxy)acetyl]phenyl]butanamide.
What is the SMILES notation for N-[4-[2-(2-fluorophenoxy)acetyl]phenyl]butanamide?
The canonical SMILES for N-[4-[2-(2-fluorophenoxy)acetyl]phenyl]butanamide is CCCC(=O)Nc1ccc(C(=O)COc2ccccc2F)cc1.
What is the InChIKey of N-[4-[2-(2-fluorophenoxy)acetyl]phenyl]butanamide?
The InChIKey is LQBKRHDLCRLVFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO3/c1-2-5-18(22)20-14-10-8-13(9-11-14)16(21)12-23-17-7-4-3-6-15(17)19/h3-4,6-11H,2,5,12H2,1H3,(H,20,22).
What are the key properties of N-[4-[2-(2-fluorophenoxy)acetyl]phenyl]butanamide?
N-[4-[2-(2-fluorophenoxy)acetyl]phenyl]butanamide has a molecular weight of 315.34 g/mol, XLogP of 3.83, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(2-fluorophenoxy)acetyl]phenyl]butanamide is sourced from PubChem (CID 7434033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).