3-fluoro-N-[2-[4-(4-methylphenoxy)butanoylamino]ethyl]benzamide

C20H23FN2O3 — CID 108541666

IUPAC3-fluoro-N-[2-[4-(4-methylphenoxy)butanoylamino]ethyl]benzamide
SMILESCc1ccc(OCCCC(=O)NCCNC(=O)c2cccc(F)c2)cc1
InChIInChI=1S/C20H23FN2O3/c1-15-7-9-18(10-8-15)26-13-3-6-19(24)22-11-12-23-20(25)16-4-2-5-17(21)14-16/h2,4-5,7-10,14H,3,6,11-13H2,1H3,(H,22,24)(H,23,25)
InChIKeyHXLZFPQGEFBTKY-UHFFFAOYSA-N
MW358.41 g/mol
LogP2.84
Rot. Bonds9

About 3-fluoro-N-[2-[4-(4-methylphenoxy)butanoylamino]ethyl]benzamide

3-fluoro-N-[2-[4-(4-methylphenoxy)butanoylamino]ethyl]benzamide (PubChem CID 108541666) has the molecular formula C20H23FN2O3 and a molecular weight of 358.41 g/mol. Its IUPAC name is 3-fluoro-N-[2-[4-(4-methylphenoxy)butanoylamino]ethyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[2-[4-(4-methylphenoxy)butanoylamino]ethyl]benzamide
PubChem CID108541666
Molecular FormulaC20H23FN2O3
Molecular Weight358.41 g/mol
Exact Mass358.17
IUPAC Name3-fluoro-N-[2-[4-(4-methylphenoxy)butanoylamino]ethyl]benzamide
SMILESCc1ccc(OCCCC(=O)NCCNC(=O)c2cccc(F)c2)cc1
InChIInChI=1S/C20H23FN2O3/c1-15-7-9-18(10-8-15)26-13-3-6-19(24)22-11-12-23-20(25)16-4-2-5-17(21)14-16/h2,4-5,7-10,14H,3,6,11-13H2,1H3,(H,22,24)(H,23,25)
InChIKeyHXLZFPQGEFBTKY-UHFFFAOYSA-N
XLogP2.84
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-methyl-N-[2-(4-phenoxybutanoylamino)ethyl]benzamide
CID 108541759
N-[2-[4-(4-methylphenoxy)butanoylamino]ethyl]pyridine-4-carboxamide
CID 108541662
N-[2-[4-(4-methylphenoxy)butanoylamino]ethyl]naphthalene-1-carboxamide
CID 108541646
N-[2-[[2-(4-ethoxyphenoxy)acetyl]amino]ethyl]-3-fluorobenzamide
CID 108542788
N-[2-[4-(4-methylphenoxy)butanoylamino]ethyl]-4-propan-2-ylbenzamide
CID 108572898
N-[2-(4-aminophenoxy)ethyl]-3-fluorobenzamide
CID 39373072
N-[2-(4-chlorophenoxy)ethyl]-3-fluorobenzamide
CID 92748915
N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]-3-fluorobenzamide
CID 108542091
N-[2-[(3-fluorobenzoyl)amino]ethyl]-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 46105843
3-fluoro-N-[2-[(3-fluorobenzoyl)amino]ethyl]-4-methylbenzamide
CID 33319896
3-methoxy-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 7761263
N-[3-[4-(4-chlorophenoxy)butylamino]-3-oxopropyl]-3-methylbenzamide
CID 18209020

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-[4-(4-methylphenoxy)butanoylamino]ethyl]benzamide?
The IUPAC name of 3-fluoro-N-[2-[4-(4-methylphenoxy)butanoylamino]ethyl]benzamide (CID 108541666) is 3-fluoro-N-[2-[4-(4-methylphenoxy)butanoylamino]ethyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[2-[4-(4-methylphenoxy)butanoylamino]ethyl]benzamide?
The canonical SMILES for 3-fluoro-N-[2-[4-(4-methylphenoxy)butanoylamino]ethyl]benzamide is Cc1ccc(OCCCC(=O)NCCNC(=O)c2cccc(F)c2)cc1.
What is the InChIKey of 3-fluoro-N-[2-[4-(4-methylphenoxy)butanoylamino]ethyl]benzamide?
The InChIKey is HXLZFPQGEFBTKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O3/c1-15-7-9-18(10-8-15)26-13-3-6-19(24)22-11-12-23-20(25)16-4-2-5-17(21)14-16/h2,4-5,7-10,14H,3,6,11-13H2,1H3,(H,22,24)(H,23,25).
What are the key properties of 3-fluoro-N-[2-[4-(4-methylphenoxy)butanoylamino]ethyl]benzamide?
3-fluoro-N-[2-[4-(4-methylphenoxy)butanoylamino]ethyl]benzamide has a molecular weight of 358.41 g/mol, XLogP of 2.84, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[2-[4-(4-methylphenoxy)butanoylamino]ethyl]benzamide is sourced from PubChem (CID 108541666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).