N-(4-ethoxyphenyl)-4-[3-(4-fluorophenyl)propanoylamino]benzamide

C24H23FN2O3 — CID 18279791

IUPACN-(4-ethoxyphenyl)-4-[3-(4-fluorophenyl)propanoylamino]benzamide
SMILESCCOc1ccc(NC(=O)c2ccc(NC(=O)CCc3ccc(F)cc3)cc2)cc1
InChIInChI=1S/C24H23FN2O3/c1-2-30-22-14-12-21(13-15-22)27-24(29)18-6-10-20(11-7-18)26-23(28)16-5-17-3-8-19(25)9-4-17/h3-4,6-15H,2,5,16H2,1H3,(H,26,28)(H,27,29)
InChIKeyZBLXTGFCQNXTNY-UHFFFAOYSA-N
MW406.46 g/mol
LogP5.05
Rot. Bonds8

About N-(4-ethoxyphenyl)-4-[3-(4-fluorophenyl)propanoylamino]benzamide

N-(4-ethoxyphenyl)-4-[3-(4-fluorophenyl)propanoylamino]benzamide (PubChem CID 18279791) has the molecular formula C24H23FN2O3 and a molecular weight of 406.46 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-4-[3-(4-fluorophenyl)propanoylamino]benzamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-4-[3-(4-fluorophenyl)propanoylamino]benzamide
PubChem CID18279791
Molecular FormulaC24H23FN2O3
Molecular Weight406.46 g/mol
Exact Mass406.17
IUPAC NameN-(4-ethoxyphenyl)-4-[3-(4-fluorophenyl)propanoylamino]benzamide
SMILESCCOc1ccc(NC(=O)c2ccc(NC(=O)CCc3ccc(F)cc3)cc2)cc1
InChIInChI=1S/C24H23FN2O3/c1-2-30-22-14-12-21(13-15-22)27-24(29)18-6-10-20(11-7-18)26-23(28)16-5-17-3-8-19(25)9-4-17/h3-4,6-15H,2,5,16H2,1H3,(H,26,28)(H,27,29)
InChIKeyZBLXTGFCQNXTNY-UHFFFAOYSA-N
XLogP5.05
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
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

N-(4-ethoxyphenyl)-4-[[2-(4-fluorophenoxy)acetyl]amino]benzamide
CID 26218143
N-(4-ethoxyphenyl)-2-(4-fluorophenyl)acetamide
CID 2289388
4-ethoxy-N-[2-(4-fluoroanilino)-2-oxoethyl]benzamide
CID 9416291
N-[2-(4-ethoxyanilino)-2-oxoethyl]-4-fluorobenzamide
CID 2967136
N-(4-ethoxyphenyl)-N'-(4-fluorophenyl)propanediamide
CID 108954809
N-[4-(3-phenylpropanoylamino)phenyl]-4-propoxybenzamide
CID 17233570
ethyl [4-[[4-[3-(4-fluorophenyl)propanoylamino]phenyl]methylcarbamoyl]phenyl] carbonate
CID 108931413
N-(4-ethoxyphenyl)-3-[(4-fluorophenyl)methylamino]propanamide
CID 109021260
N-(4-ethoxyphenyl)-4-[(2-hydroxyacetyl)amino]benzamide
CID 8006880
3-(4-ethoxyphenyl)-N-(4-propan-2-ylphenyl)propanamide
CID 19225956
3-(4-fluorophenyl)-N-(4-prop-2-enoxyphenyl)propanamide
CID 100514728
N-[4-(diethylamino)phenyl]-3-(4-ethoxyphenyl)propanamide
CID 19226078

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-4-[3-(4-fluorophenyl)propanoylamino]benzamide?
The IUPAC name of N-(4-ethoxyphenyl)-4-[3-(4-fluorophenyl)propanoylamino]benzamide (CID 18279791) is N-(4-ethoxyphenyl)-4-[3-(4-fluorophenyl)propanoylamino]benzamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-4-[3-(4-fluorophenyl)propanoylamino]benzamide?
The canonical SMILES for N-(4-ethoxyphenyl)-4-[3-(4-fluorophenyl)propanoylamino]benzamide is CCOc1ccc(NC(=O)c2ccc(NC(=O)CCc3ccc(F)cc3)cc2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-4-[3-(4-fluorophenyl)propanoylamino]benzamide?
The InChIKey is ZBLXTGFCQNXTNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN2O3/c1-2-30-22-14-12-21(13-15-22)27-24(29)18-6-10-20(11-7-18)26-23(28)16-5-17-3-8-19(25)9-4-17/h3-4,6-15H,2,5,16H2,1H3,(H,26,28)(H,27,29).
What are the key properties of N-(4-ethoxyphenyl)-4-[3-(4-fluorophenyl)propanoylamino]benzamide?
N-(4-ethoxyphenyl)-4-[3-(4-fluorophenyl)propanoylamino]benzamide has a molecular weight of 406.46 g/mol, XLogP of 5.05, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-4-[3-(4-fluorophenyl)propanoylamino]benzamide is sourced from PubChem (CID 18279791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).