4-ethoxy-N-[2-(4-fluoroanilino)-2-oxoethyl]benzamide

C17H17FN2O3 — CID 9416291

IUPAC4-ethoxy-N-[2-(4-fluoroanilino)-2-oxoethyl]benzamide
SMILESCCOc1ccc(C(=O)NCC(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C17H17FN2O3/c1-2-23-15-9-3-12(4-10-15)17(22)19-11-16(21)20-14-7-5-13(18)6-8-14/h3-10H,2,11H2,1H3,(H,19,22)(H,20,21)
InChIKeyOWTXQHMLGPYBTN-UHFFFAOYSA-N
MW316.33 g/mol
LogP2.59
Rot. Bonds6

About 4-ethoxy-N-[2-(4-fluoroanilino)-2-oxoethyl]benzamide

4-ethoxy-N-[2-(4-fluoroanilino)-2-oxoethyl]benzamide (PubChem CID 9416291) has the molecular formula C17H17FN2O3 and a molecular weight of 316.33 g/mol. Its IUPAC name is 4-ethoxy-N-[2-(4-fluoroanilino)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-ethoxy-N-[2-(4-fluoroanilino)-2-oxoethyl]benzamide
PubChem CID9416291
Molecular FormulaC17H17FN2O3
Molecular Weight316.33 g/mol
Exact Mass316.12
IUPAC Name4-ethoxy-N-[2-(4-fluoroanilino)-2-oxoethyl]benzamide
SMILESCCOc1ccc(C(=O)NCC(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C17H17FN2O3/c1-2-23-15-9-3-12(4-10-15)17(22)19-11-16(21)20-14-7-5-13(18)6-8-14/h3-10H,2,11H2,1H3,(H,19,22)(H,20,21)
InChIKeyOWTXQHMLGPYBTN-UHFFFAOYSA-N
XLogP2.59
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.33
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-ethoxyanilino)-2-oxoethyl]-4-fluorobenzamide
CID 2967136
4-ethoxy-N-[2-(3-fluoroanilino)-2-oxoethyl]benzamide
CID 9412541
N-(4-ethoxyphenyl)-4-[[2-(4-fluorophenoxy)acetyl]amino]benzamide
CID 26218143
methyl 4-[[2-[(4-fluorobenzoyl)amino]acetyl]amino]benzoate
CID 112999938
N-(4-ethoxyphenyl)-N'-(4-fluorophenyl)propanediamide
CID 108954809
N-[2-(4-ethoxyanilino)-2-oxoethyl]-2,4-difluorobenzamide
CID 29415155
N-[2-(4-ethylanilino)-2-oxoethyl]-4-fluorobenzamide
CID 26697243
N-(4-ethoxyphenyl)-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide
CID 18160151
[2-(4-ethoxyanilino)-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884932
N-(4-ethoxyphenyl)-4-[3-(4-fluorophenyl)propanoylamino]benzamide
CID 18279791
2-[[4-[[2-(4-ethoxyphenyl)acetyl]amino]benzoyl]amino]acetic acid
CID 45434962
methyl 2-[[4-[[2-(4-ethoxyphenoxy)acetyl]amino]benzoyl]amino]acetate
CID 46637026

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[2-(4-fluoroanilino)-2-oxoethyl]benzamide?
The IUPAC name of 4-ethoxy-N-[2-(4-fluoroanilino)-2-oxoethyl]benzamide (CID 9416291) is 4-ethoxy-N-[2-(4-fluoroanilino)-2-oxoethyl]benzamide.
What is the SMILES notation for 4-ethoxy-N-[2-(4-fluoroanilino)-2-oxoethyl]benzamide?
The canonical SMILES for 4-ethoxy-N-[2-(4-fluoroanilino)-2-oxoethyl]benzamide is CCOc1ccc(C(=O)NCC(=O)Nc2ccc(F)cc2)cc1.
What is the InChIKey of 4-ethoxy-N-[2-(4-fluoroanilino)-2-oxoethyl]benzamide?
The InChIKey is OWTXQHMLGPYBTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O3/c1-2-23-15-9-3-12(4-10-15)17(22)19-11-16(21)20-14-7-5-13(18)6-8-14/h3-10H,2,11H2,1H3,(H,19,22)(H,20,21).
What are the key properties of 4-ethoxy-N-[2-(4-fluoroanilino)-2-oxoethyl]benzamide?
4-ethoxy-N-[2-(4-fluoroanilino)-2-oxoethyl]benzamide has a molecular weight of 316.33 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[2-(4-fluoroanilino)-2-oxoethyl]benzamide is sourced from PubChem (CID 9416291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).