4-[1-(4-ethylanilino)-1-oxopropan-2-yl]oxy-N-(4-fluorophenyl)benzamide

C24H23FN2O3 — CID 3691715

IUPAC4-[1-(4-ethylanilino)-1-oxopropan-2-yl]oxy-N-(4-fluorophenyl)benzamide
SMILESCCc1ccc(NC(=O)C(C)Oc2ccc(C(=O)Nc3ccc(F)cc3)cc2)cc1
InChIInChI=1S/C24H23FN2O3/c1-3-17-4-10-20(11-5-17)26-23(28)16(2)30-22-14-6-18(7-15-22)24(29)27-21-12-8-19(25)9-13-21/h4-16H,3H2,1-2H3,(H,26,28)(H,27,29)
InChIKeySVKMYBNXAJTDIZ-UHFFFAOYSA-N
MW406.46 g/mol
LogP5.05
Rot. Bonds7

About 4-[1-(4-ethylanilino)-1-oxopropan-2-yl]oxy-N-(4-fluorophenyl)benzamide

4-[1-(4-ethylanilino)-1-oxopropan-2-yl]oxy-N-(4-fluorophenyl)benzamide (PubChem CID 3691715) has the molecular formula C24H23FN2O3 and a molecular weight of 406.46 g/mol. Its IUPAC name is 4-[1-(4-ethylanilino)-1-oxopropan-2-yl]oxy-N-(4-fluorophenyl)benzamide.

Molecular Properties

Compound Name4-[1-(4-ethylanilino)-1-oxopropan-2-yl]oxy-N-(4-fluorophenyl)benzamide
PubChem CID3691715
Molecular FormulaC24H23FN2O3
Molecular Weight406.46 g/mol
Exact Mass406.17
IUPAC Name4-[1-(4-ethylanilino)-1-oxopropan-2-yl]oxy-N-(4-fluorophenyl)benzamide
SMILESCCc1ccc(NC(=O)C(C)Oc2ccc(C(=O)Nc3ccc(F)cc3)cc2)cc1
InChIInChI=1S/C24H23FN2O3/c1-3-17-4-10-20(11-5-17)26-23(28)16(2)30-22-14-6-18(7-15-22)24(29)27-21-12-8-19(25)9-13-21/h4-16H,3H2,1-2H3,(H,26,28)(H,27,29)
InChIKeySVKMYBNXAJTDIZ-UHFFFAOYSA-N
XLogP5.05
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.46
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl]oxy-N-(4-methylphenyl)benzamide
CID 7709738
4-[[(2S)-2-(4-fluorophenoxy)propanoyl]amino]-N-(4-methoxyphenyl)benzamide
CID 8884358
N-ethyl-4-[2-(4-ethylphenoxy)propanoylamino]benzamide
CID 17234371
(2S)-N-(4-ethylphenyl)-2-(4-propanoylphenoxy)propanamide
CID 8604722
N-(4-acetamidophenyl)-2-(4-ethylphenoxy)propanamide
CID 4953258
methyl 4-[2-(4-fluorophenoxy)propanoylamino]benzoate
CID 2934711
(2S)-2-(4-tert-butylphenoxy)-N-(4-ethylphenyl)propanamide
CID 7703328
N-(2-acetamidoethyl)-4-[2-(4-fluorophenoxy)propanoylamino]benzamide
CID 121062171
4-[2-(4-fluorophenoxy)propanoylamino]benzoic acid
CID 21367225
(2S)-2-[4-[(4-fluorophenyl)carbamoyl]phenoxy]propanoic acid
CID 733394
N-(3-chloro-4-methoxyphenyl)-4-[1-(4-ethylanilino)-1-oxopropan-2-yl]oxybenzamide
CID 2968265
4-[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl]oxybenzamide
CID 7931427

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-ethylanilino)-1-oxopropan-2-yl]oxy-N-(4-fluorophenyl)benzamide?
The IUPAC name of 4-[1-(4-ethylanilino)-1-oxopropan-2-yl]oxy-N-(4-fluorophenyl)benzamide (CID 3691715) is 4-[1-(4-ethylanilino)-1-oxopropan-2-yl]oxy-N-(4-fluorophenyl)benzamide.
What is the SMILES notation for 4-[1-(4-ethylanilino)-1-oxopropan-2-yl]oxy-N-(4-fluorophenyl)benzamide?
The canonical SMILES for 4-[1-(4-ethylanilino)-1-oxopropan-2-yl]oxy-N-(4-fluorophenyl)benzamide is CCc1ccc(NC(=O)C(C)Oc2ccc(C(=O)Nc3ccc(F)cc3)cc2)cc1.
What is the InChIKey of 4-[1-(4-ethylanilino)-1-oxopropan-2-yl]oxy-N-(4-fluorophenyl)benzamide?
The InChIKey is SVKMYBNXAJTDIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN2O3/c1-3-17-4-10-20(11-5-17)26-23(28)16(2)30-22-14-6-18(7-15-22)24(29)27-21-12-8-19(25)9-13-21/h4-16H,3H2,1-2H3,(H,26,28)(H,27,29).
What are the key properties of 4-[1-(4-ethylanilino)-1-oxopropan-2-yl]oxy-N-(4-fluorophenyl)benzamide?
4-[1-(4-ethylanilino)-1-oxopropan-2-yl]oxy-N-(4-fluorophenyl)benzamide has a molecular weight of 406.46 g/mol, XLogP of 5.05, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-ethylanilino)-1-oxopropan-2-yl]oxy-N-(4-fluorophenyl)benzamide is sourced from PubChem (CID 3691715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).