N-(4-ethoxyphenyl)-4-[[2-(4-fluorophenoxy)acetyl]amino]benzamide

C23H21FN2O4 — CID 26218143

IUPACN-(4-ethoxyphenyl)-4-[[2-(4-fluorophenoxy)acetyl]amino]benzamide
SMILESCCOC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NC(=O)COC3=CC=C(C=C3)F
InChIInChI=1S/C23H21FN2O4/c1-2-29-20-13-9-19(10-14-20)26-23(28)16-3-7-18(8-4-16)25-22(27)15-30-21-11-5-17(24)6-12-21/h3-14H,2,15H2,1H3,(H,25,27)(H,26,28)
InChIKeyQOTUSMMNPSEQGI-UHFFFAOYSA-N
MW408.40 g/mol
LogP4.10
Rot. Bonds8

About N-(4-ethoxyphenyl)-4-[[2-(4-fluorophenoxy)acetyl]amino]benzamide

N-(4-ethoxyphenyl)-4-[[2-(4-fluorophenoxy)acetyl]amino]benzamide (PubChem CID 26218143) has the molecular formula C23H21FN2O4 and a molecular weight of 408.40 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-4-[[2-(4-fluorophenoxy)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-4-[[2-(4-fluorophenoxy)acetyl]amino]benzamide
PubChem CID26218143
Molecular FormulaC23H21FN2O4
Molecular Weight408.40 g/mol
Exact Mass408.15
IUPAC NameN-(4-ethoxyphenyl)-4-[[2-(4-fluorophenoxy)acetyl]amino]benzamide
SMILESCCOC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NC(=O)COC3=CC=C(C=C3)F
InChIInChI=1S/C23H21FN2O4/c1-2-29-20-13-9-19(10-14-20)26-23(28)16-3-7-18(8-4-16)25-22(27)15-30-21-11-5-17(24)6-12-21/h3-14H,2,15H2,1H3,(H,25,27)(H,26,28)
InChIKeyQOTUSMMNPSEQGI-UHFFFAOYSA-N
XLogP4.10
TPSA76.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity537

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.40
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-4-[[2-(4-fluorophenoxy)acetyl]amino]benzamide?
The IUPAC name of N-(4-ethoxyphenyl)-4-[[2-(4-fluorophenoxy)acetyl]amino]benzamide (CID 26218143) is N-(4-ethoxyphenyl)-4-[[2-(4-fluorophenoxy)acetyl]amino]benzamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-4-[[2-(4-fluorophenoxy)acetyl]amino]benzamide?
The canonical SMILES for N-(4-ethoxyphenyl)-4-[[2-(4-fluorophenoxy)acetyl]amino]benzamide is CCOC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NC(=O)COC3=CC=C(C=C3)F.
What is the InChIKey of N-(4-ethoxyphenyl)-4-[[2-(4-fluorophenoxy)acetyl]amino]benzamide?
The InChIKey is QOTUSMMNPSEQGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN2O4/c1-2-29-20-13-9-19(10-14-20)26-23(28)16-3-7-18(8-4-16)25-22(27)15-30-21-11-5-17(24)6-12-21/h3-14H,2,15H2,1H3,(H,25,27)(H,26,28).
What are the key properties of N-(4-ethoxyphenyl)-4-[[2-(4-fluorophenoxy)acetyl]amino]benzamide?
N-(4-ethoxyphenyl)-4-[[2-(4-fluorophenoxy)acetyl]amino]benzamide has a molecular weight of 408.40 g/mol, XLogP of 4.10, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-4-[[2-(4-fluorophenoxy)acetyl]amino]benzamide is sourced from PubChem (CID 26218143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).