N-[3-(4-ethoxyphenoxy)-5-[(4-fluorobenzoyl)amino]phenyl]-4-fluorobenzamide

C28H22F2N2O4 — CID 1242259

IUPACN-[3-(4-ethoxyphenoxy)-5-[(4-fluorobenzoyl)amino]phenyl]-4-fluorobenzamide
SMILESCCOc1ccc(Oc2cc(NC(=O)c3ccc(F)cc3)cc(NC(=O)c3ccc(F)cc3)c2)cc1
InChIInChI=1S/C28H22F2N2O4/c1-2-35-24-11-13-25(14-12-24)36-26-16-22(31-27(33)18-3-7-20(29)8-4-18)15-23(17-26)32-28(34)19-5-9-21(30)10-6-19/h3-17H,2H2,1H3,(H,31,33)(H,32,34)
InChIKeyRHKVCEKFHADTGF-UHFFFAOYSA-N
MW488.49 g/mol
LogP6.66
Rot. Bonds8

About N-[3-(4-ethoxyphenoxy)-5-[(4-fluorobenzoyl)amino]phenyl]-4-fluorobenzamide

N-[3-(4-ethoxyphenoxy)-5-[(4-fluorobenzoyl)amino]phenyl]-4-fluorobenzamide (PubChem CID 1242259) has the molecular formula C28H22F2N2O4 and a molecular weight of 488.49 g/mol. Its IUPAC name is N-[3-(4-ethoxyphenoxy)-5-[(4-fluorobenzoyl)amino]phenyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[3-(4-ethoxyphenoxy)-5-[(4-fluorobenzoyl)amino]phenyl]-4-fluorobenzamide
PubChem CID1242259
Molecular FormulaC28H22F2N2O4
Molecular Weight488.49 g/mol
Exact Mass488.15
IUPAC NameN-[3-(4-ethoxyphenoxy)-5-[(4-fluorobenzoyl)amino]phenyl]-4-fluorobenzamide
SMILESCCOc1ccc(Oc2cc(NC(=O)c3ccc(F)cc3)cc(NC(=O)c3ccc(F)cc3)c2)cc1
InChIInChI=1S/C28H22F2N2O4/c1-2-35-24-11-13-25(14-12-24)36-26-16-22(31-27(33)18-3-7-20(29)8-4-18)15-23(17-26)32-28(34)19-5-9-21(30)10-6-19/h3-17H,2H2,1H3,(H,31,33)(H,32,34)
InChIKeyRHKVCEKFHADTGF-UHFFFAOYSA-N
XLogP6.66
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.49
LogP ≤ 56.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-ethoxyphenoxy)-5-[(4-fluorobenzoyl)amino]phenyl]-4-fluorobenzamide?
The IUPAC name of N-[3-(4-ethoxyphenoxy)-5-[(4-fluorobenzoyl)amino]phenyl]-4-fluorobenzamide (CID 1242259) is N-[3-(4-ethoxyphenoxy)-5-[(4-fluorobenzoyl)amino]phenyl]-4-fluorobenzamide.
What is the SMILES notation for N-[3-(4-ethoxyphenoxy)-5-[(4-fluorobenzoyl)amino]phenyl]-4-fluorobenzamide?
The canonical SMILES for N-[3-(4-ethoxyphenoxy)-5-[(4-fluorobenzoyl)amino]phenyl]-4-fluorobenzamide is CCOc1ccc(Oc2cc(NC(=O)c3ccc(F)cc3)cc(NC(=O)c3ccc(F)cc3)c2)cc1.
What is the InChIKey of N-[3-(4-ethoxyphenoxy)-5-[(4-fluorobenzoyl)amino]phenyl]-4-fluorobenzamide?
The InChIKey is RHKVCEKFHADTGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22F2N2O4/c1-2-35-24-11-13-25(14-12-24)36-26-16-22(31-27(33)18-3-7-20(29)8-4-18)15-23(17-26)32-28(34)19-5-9-21(30)10-6-19/h3-17H,2H2,1H3,(H,31,33)(H,32,34).
What are the key properties of N-[3-(4-ethoxyphenoxy)-5-[(4-fluorobenzoyl)amino]phenyl]-4-fluorobenzamide?
N-[3-(4-ethoxyphenoxy)-5-[(4-fluorobenzoyl)amino]phenyl]-4-fluorobenzamide has a molecular weight of 488.49 g/mol, XLogP of 6.66, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-ethoxyphenoxy)-5-[(4-fluorobenzoyl)amino]phenyl]-4-fluorobenzamide is sourced from PubChem (CID 1242259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).