N-[2-(4-fluoroanilino)-2-oxoethyl]-2-[(4-fluorophenyl)methoxy]-N-methylbenzamide

C23H20F2N2O3 — CID 24687512

IUPACN-[2-(4-fluoroanilino)-2-oxoethyl]-2-[(4-fluorophenyl)methoxy]-N-methylbenzamide
SMILESCN(CC(=O)Nc1ccc(F)cc1)C(=O)c1ccccc1OCc1ccc(F)cc1
InChIInChI=1S/C23H20F2N2O3/c1-27(14-22(28)26-19-12-10-18(25)11-13-19)23(29)20-4-2-3-5-21(20)30-15-16-6-8-17(24)9-7-16/h2-13H,14-15H2,1H3,(H,26,28)
InChIKeyYOEMWRUJHXQPHH-UHFFFAOYSA-N
MW410.42 g/mol
LogP4.25
Rot. Bonds7

About N-[2-(4-fluoroanilino)-2-oxoethyl]-2-[(4-fluorophenyl)methoxy]-N-methylbenzamide

N-[2-(4-fluoroanilino)-2-oxoethyl]-2-[(4-fluorophenyl)methoxy]-N-methylbenzamide (PubChem CID 24687512) has the molecular formula C23H20F2N2O3 and a molecular weight of 410.42 g/mol. Its IUPAC name is N-[2-(4-fluoroanilino)-2-oxoethyl]-2-[(4-fluorophenyl)methoxy]-N-methylbenzamide.

Molecular Properties

Compound NameN-[2-(4-fluoroanilino)-2-oxoethyl]-2-[(4-fluorophenyl)methoxy]-N-methylbenzamide
PubChem CID24687512
Molecular FormulaC23H20F2N2O3
Molecular Weight410.42 g/mol
Exact Mass410.14
IUPAC NameN-[2-(4-fluoroanilino)-2-oxoethyl]-2-[(4-fluorophenyl)methoxy]-N-methylbenzamide
SMILESCN(CC(=O)Nc1ccc(F)cc1)C(=O)c1ccccc1OCc1ccc(F)cc1
InChIInChI=1S/C23H20F2N2O3/c1-27(14-22(28)26-19-12-10-18(25)11-13-19)23(29)20-4-2-3-5-21(20)30-15-16-6-8-17(24)9-7-16/h2-13H,14-15H2,1H3,(H,26,28)
InChIKeyYOEMWRUJHXQPHH-UHFFFAOYSA-N
XLogP4.25
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.42
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(4-fluoroanilino)-2-oxoethyl]-2-[(4-fluorophenyl)methoxy]-N-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluoroanilino)-2-oxoethyl]-2-[(4-fluorophenyl)methoxy]-N-methylbenzamide?
The IUPAC name of N-[2-(4-fluoroanilino)-2-oxoethyl]-2-[(4-fluorophenyl)methoxy]-N-methylbenzamide (CID 24687512) is N-[2-(4-fluoroanilino)-2-oxoethyl]-2-[(4-fluorophenyl)methoxy]-N-methylbenzamide.
What is the SMILES notation for N-[2-(4-fluoroanilino)-2-oxoethyl]-2-[(4-fluorophenyl)methoxy]-N-methylbenzamide?
The canonical SMILES for N-[2-(4-fluoroanilino)-2-oxoethyl]-2-[(4-fluorophenyl)methoxy]-N-methylbenzamide is CN(CC(=O)Nc1ccc(F)cc1)C(=O)c1ccccc1OCc1ccc(F)cc1.
What is the InChIKey of N-[2-(4-fluoroanilino)-2-oxoethyl]-2-[(4-fluorophenyl)methoxy]-N-methylbenzamide?
The InChIKey is YOEMWRUJHXQPHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F2N2O3/c1-27(14-22(28)26-19-12-10-18(25)11-13-19)23(29)20-4-2-3-5-21(20)30-15-16-6-8-17(24)9-7-16/h2-13H,14-15H2,1H3,(H,26,28).
What are the key properties of N-[2-(4-fluoroanilino)-2-oxoethyl]-2-[(4-fluorophenyl)methoxy]-N-methylbenzamide?
N-[2-(4-fluoroanilino)-2-oxoethyl]-2-[(4-fluorophenyl)methoxy]-N-methylbenzamide has a molecular weight of 410.42 g/mol, XLogP of 4.25, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluoroanilino)-2-oxoethyl]-2-[(4-fluorophenyl)methoxy]-N-methylbenzamide is sourced from PubChem (CID 24687512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).