4-fluoro-N-[[3-(oxan-4-yloxymethyl)phenyl]methyl]benzamide

C20H22FNO3 — CID 56786732

IUPAC4-fluoro-N-[[3-(oxan-4-yloxymethyl)phenyl]methyl]benzamide
SMILESO=C(NCc1cccc(COC2CCOCC2)c1)c1ccc(F)cc1
InChIInChI=1S/C20H22FNO3/c21-18-6-4-17(5-7-18)20(23)22-13-15-2-1-3-16(12-15)14-25-19-8-10-24-11-9-19/h1-7,12,19H,8-11,13-14H2,(H,22,23)
InChIKeySUQPOPSQEIJJMY-UHFFFAOYSA-N
MW343.40 g/mol
LogP3.45
Rot. Bonds6

About 4-fluoro-N-[[3-(oxan-4-yloxymethyl)phenyl]methyl]benzamide

4-fluoro-N-[[3-(oxan-4-yloxymethyl)phenyl]methyl]benzamide (PubChem CID 56786732) has the molecular formula C20H22FNO3 and a molecular weight of 343.40 g/mol. Its IUPAC name is 4-fluoro-N-[[3-(oxan-4-yloxymethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[[3-(oxan-4-yloxymethyl)phenyl]methyl]benzamide
PubChem CID56786732
Molecular FormulaC20H22FNO3
Molecular Weight343.40 g/mol
Exact Mass343.16
IUPAC Name4-fluoro-N-[[3-(oxan-4-yloxymethyl)phenyl]methyl]benzamide
SMILESO=C(NCc1cccc(COC2CCOCC2)c1)c1ccc(F)cc1
InChIInChI=1S/C20H22FNO3/c21-18-6-4-17(5-7-18)20(23)22-13-15-2-1-3-16(12-15)14-25-19-8-10-24-11-9-19/h1-7,12,19H,8-11,13-14H2,(H,22,23)
InChIKeySUQPOPSQEIJJMY-UHFFFAOYSA-N
XLogP3.45
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-fluoro-N-[[3-(oxan-4-yloxymethyl)phenyl]methyl]benzamide with MolForge

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

Launch Full Analysis

Related Compounds

1-[2-(4-fluorophenyl)ethyl]-2-methyl-3-[[3-(oxan-4-yloxymethyl)phenyl]methyl]guanidine;hydroiodide
CID 111763594
(1R,2S,4S)-N-[[3-(oxan-4-yloxymethyl)phenyl]methyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 98165229
4-[[[2-(oxan-4-yloxymethyl)benzoyl]amino]methyl]benzoic acid
CID 119353331
2-methyl-1-[[3-(oxan-4-yloxymethyl)phenyl]methyl]-3-propylguanidine
CID 111763487
N-[(3-aminophenyl)methyl]-4-fluorobenzamide
CID 55083550
1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-[[3-(oxan-4-yloxymethyl)phenyl]methyl]guanidine
CID 111768805
5-[[4-(oxan-4-yloxymethyl)phenyl]methylcarbamoyl]thiophene-2-carboxylic acid
CID 120695960
2-methyl-1-[[3-(oxan-4-yloxymethyl)phenyl]methyl]-3-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 111760970
1-cyclohexyl-2-methyl-3-[[3-(oxan-4-yloxymethyl)phenyl]methyl]guanidine;hydroiodide
CID 111758821
N'-methyl-N-[[3-(oxan-4-yloxymethyl)phenyl]methyl]-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboximidamide;hydroiodide
CID 109443516
N-[[3-(dimethylamino)phenyl]methyl]-4-fluorobenzamide
CID 110472543
[3-(oxan-4-yloxymethyl)phenyl]boronic acid
CID 53211417

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[[3-(oxan-4-yloxymethyl)phenyl]methyl]benzamide?
The IUPAC name of 4-fluoro-N-[[3-(oxan-4-yloxymethyl)phenyl]methyl]benzamide (CID 56786732) is 4-fluoro-N-[[3-(oxan-4-yloxymethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[[3-(oxan-4-yloxymethyl)phenyl]methyl]benzamide?
The canonical SMILES for 4-fluoro-N-[[3-(oxan-4-yloxymethyl)phenyl]methyl]benzamide is O=C(NCc1cccc(COC2CCOCC2)c1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[[3-(oxan-4-yloxymethyl)phenyl]methyl]benzamide?
The InChIKey is SUQPOPSQEIJJMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FNO3/c21-18-6-4-17(5-7-18)20(23)22-13-15-2-1-3-16(12-15)14-25-19-8-10-24-11-9-19/h1-7,12,19H,8-11,13-14H2,(H,22,23).
What are the key properties of 4-fluoro-N-[[3-(oxan-4-yloxymethyl)phenyl]methyl]benzamide?
4-fluoro-N-[[3-(oxan-4-yloxymethyl)phenyl]methyl]benzamide has a molecular weight of 343.40 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[[3-(oxan-4-yloxymethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 56786732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).