N-(4-ethoxyphenyl)-4-[[2-(3-fluoroanilino)acetyl]amino]benzamide

C23H22FN3O3 — CID 9098933

IUPACN-(4-ethoxyphenyl)-4-[[2-(3-fluoroanilino)acetyl]amino]benzamide
SMILESCCOc1ccc(NC(=O)c2ccc(NC(=O)CNc3cccc(F)c3)cc2)cc1
InChIInChI=1S/C23H22FN3O3/c1-2-30-21-12-10-19(11-13-21)27-23(29)16-6-8-18(9-7-16)26-22(28)15-25-20-5-3-4-17(24)14-20/h3-14,25H,2,15H2,1H3,(H,26,28)(H,27,29)
InChIKeyMNAOVBUWZIYAQG-UHFFFAOYSA-N
MW407.45 g/mol
LogP4.53
Rot. Bonds8

About N-(4-ethoxyphenyl)-4-[[2-(3-fluoroanilino)acetyl]amino]benzamide

N-(4-ethoxyphenyl)-4-[[2-(3-fluoroanilino)acetyl]amino]benzamide (PubChem CID 9098933) has the molecular formula C23H22FN3O3 and a molecular weight of 407.45 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-4-[[2-(3-fluoroanilino)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-4-[[2-(3-fluoroanilino)acetyl]amino]benzamide
PubChem CID9098933
Molecular FormulaC23H22FN3O3
Molecular Weight407.45 g/mol
Exact Mass407.16
IUPAC NameN-(4-ethoxyphenyl)-4-[[2-(3-fluoroanilino)acetyl]amino]benzamide
SMILESCCOc1ccc(NC(=O)c2ccc(NC(=O)CNc3cccc(F)c3)cc2)cc1
InChIInChI=1S/C23H22FN3O3/c1-2-30-21-12-10-19(11-13-21)27-23(29)16-6-8-18(9-7-16)26-22(28)15-25-20-5-3-4-17(24)14-20/h3-14,25H,2,15H2,1H3,(H,26,28)(H,27,29)
InChIKeyMNAOVBUWZIYAQG-UHFFFAOYSA-N
XLogP4.53
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.45
LogP ≤ 54.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-ethoxyanilino)-N-(3-fluorophenyl)acetamide
CID 28569623
N-(4-ethoxyphenyl)-4-[[2-(3-methylanilino)-2-oxoethyl]amino]benzamide
CID 9100801
4-ethoxy-N-[2-(3-fluoroanilino)-2-oxoethyl]benzamide
CID 9412541
N-[3-[[2-(4-ethoxyanilino)acetyl]amino]phenyl]benzamide
CID 54811131
4-[[2-(3,4-dimethylanilino)-2-oxoethyl]amino]-N-(4-ethoxyphenyl)benzamide
CID 9100799
4-[[2-(4-chloroanilino)acetyl]amino]-N-(4-ethoxyphenyl)benzamide
CID 26417233
N-(4-ethoxyphenyl)-2-(3-propan-2-yloxyanilino)acetamide
CID 54830003
N-tert-butyl-4-[[2-(3-ethoxyanilino)acetyl]amino]benzamide
CID 54826253
4-[[2-(4-cyanoanilino)acetyl]amino]-N-(4-ethoxyphenyl)benzamide
CID 26437531
N-(4-ethoxyphenyl)-4-[[2-(4-fluorophenoxy)acetyl]amino]benzamide
CID 26218143
2-(3-fluoroanilino)-N-(4-phenoxyphenyl)acetamide
CID 9098919
4-ethoxy-N-[2-(4-fluoroanilino)-2-oxoethyl]benzamide
CID 9416291

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-4-[[2-(3-fluoroanilino)acetyl]amino]benzamide?
The IUPAC name of N-(4-ethoxyphenyl)-4-[[2-(3-fluoroanilino)acetyl]amino]benzamide (CID 9098933) is N-(4-ethoxyphenyl)-4-[[2-(3-fluoroanilino)acetyl]amino]benzamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-4-[[2-(3-fluoroanilino)acetyl]amino]benzamide?
The canonical SMILES for N-(4-ethoxyphenyl)-4-[[2-(3-fluoroanilino)acetyl]amino]benzamide is CCOc1ccc(NC(=O)c2ccc(NC(=O)CNc3cccc(F)c3)cc2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-4-[[2-(3-fluoroanilino)acetyl]amino]benzamide?
The InChIKey is MNAOVBUWZIYAQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O3/c1-2-30-21-12-10-19(11-13-21)27-23(29)16-6-8-18(9-7-16)26-22(28)15-25-20-5-3-4-17(24)14-20/h3-14,25H,2,15H2,1H3,(H,26,28)(H,27,29).
What are the key properties of N-(4-ethoxyphenyl)-4-[[2-(3-fluoroanilino)acetyl]amino]benzamide?
N-(4-ethoxyphenyl)-4-[[2-(3-fluoroanilino)acetyl]amino]benzamide has a molecular weight of 407.45 g/mol, XLogP of 4.53, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-4-[[2-(3-fluoroanilino)acetyl]amino]benzamide is sourced from PubChem (CID 9098933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).