4-ethoxy-N-[2-(3-fluoroanilino)-2-oxoethyl]benzamide

C17H17FN2O3 — CID 9412541

IUPAC4-ethoxy-N-[2-(3-fluoroanilino)-2-oxoethyl]benzamide
SMILESCCOc1ccc(C(=O)NCC(=O)Nc2cccc(F)c2)cc1
InChIInChI=1S/C17H17FN2O3/c1-2-23-15-8-6-12(7-9-15)17(22)19-11-16(21)20-14-5-3-4-13(18)10-14/h3-10H,2,11H2,1H3,(H,19,22)(H,20,21)
InChIKeyHLMKJMOCRXRJQS-UHFFFAOYSA-N
MW316.33 g/mol
LogP2.59
Rot. Bonds6

About 4-ethoxy-N-[2-(3-fluoroanilino)-2-oxoethyl]benzamide

4-ethoxy-N-[2-(3-fluoroanilino)-2-oxoethyl]benzamide (PubChem CID 9412541) has the molecular formula C17H17FN2O3 and a molecular weight of 316.33 g/mol. Its IUPAC name is 4-ethoxy-N-[2-(3-fluoroanilino)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-ethoxy-N-[2-(3-fluoroanilino)-2-oxoethyl]benzamide
PubChem CID9412541
Molecular FormulaC17H17FN2O3
Molecular Weight316.33 g/mol
Exact Mass316.12
IUPAC Name4-ethoxy-N-[2-(3-fluoroanilino)-2-oxoethyl]benzamide
SMILESCCOc1ccc(C(=O)NCC(=O)Nc2cccc(F)c2)cc1
InChIInChI=1S/C17H17FN2O3/c1-2-23-15-8-6-12(7-9-15)17(22)19-11-16(21)20-14-5-3-4-13(18)10-14/h3-10H,2,11H2,1H3,(H,19,22)(H,20,21)
InChIKeyHLMKJMOCRXRJQS-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

4-ethoxy-N-[2-(4-fluoroanilino)-2-oxoethyl]benzamide
CID 9416291
N-[2-(4-ethoxyanilino)-2-oxoethyl]-4-fluorobenzamide
CID 2967136
N-(4-ethoxyphenyl)-4-[[2-(3-fluoroanilino)acetyl]amino]benzamide
CID 9098933
2-(4-ethoxyanilino)-N-(3-fluorophenyl)acetamide
CID 28569623
3,4-diethoxy-N-[2-[3-[(3-fluorophenyl)carbamoyl]anilino]-2-oxoethyl]benzamide
CID 55946843
4-tert-butyl-N-[2-(3-fluoroanilino)-2-oxoethyl]benzamide
CID 772126
2-(4-ethoxyphenyl)-N-(3-fluorophenyl)acetamide
CID 26579486
[2-(3-methylanilino)-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 2389753
N-(3-fluorophenyl)-2-[[2-(4-methoxyphenoxy)acetyl]amino]acetamide
CID 49335848
N-[2-[2-(4-ethoxyphenoxy)anilino]-2-oxoethyl]-3-fluorobenzamide
CID 112768786
N-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]-4-ethoxybenzamide
CID 7676792
N-[2-(4-ethoxyanilino)-2-oxoethyl]-2,4-difluorobenzamide
CID 29415155

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[2-(3-fluoroanilino)-2-oxoethyl]benzamide?
The IUPAC name of 4-ethoxy-N-[2-(3-fluoroanilino)-2-oxoethyl]benzamide (CID 9412541) is 4-ethoxy-N-[2-(3-fluoroanilino)-2-oxoethyl]benzamide.
What is the SMILES notation for 4-ethoxy-N-[2-(3-fluoroanilino)-2-oxoethyl]benzamide?
The canonical SMILES for 4-ethoxy-N-[2-(3-fluoroanilino)-2-oxoethyl]benzamide is CCOc1ccc(C(=O)NCC(=O)Nc2cccc(F)c2)cc1.
What is the InChIKey of 4-ethoxy-N-[2-(3-fluoroanilino)-2-oxoethyl]benzamide?
The InChIKey is HLMKJMOCRXRJQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O3/c1-2-23-15-8-6-12(7-9-15)17(22)19-11-16(21)20-14-5-3-4-13(18)10-14/h3-10H,2,11H2,1H3,(H,19,22)(H,20,21).
What are the key properties of 4-ethoxy-N-[2-(3-fluoroanilino)-2-oxoethyl]benzamide?
4-ethoxy-N-[2-(3-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-(3-fluoroanilino)-2-oxoethyl]benzamide is sourced from PubChem (CID 9412541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).