4-fluoro-N-[4-[2-[4-[(4-fluorobenzoyl)amino]phenoxy]ethoxy]phenyl]benzamide

C28H22F2N2O4 — CID 17386974

IUPAC4-fluoro-N-[4-[2-[4-[(4-fluorobenzoyl)amino]phenoxy]ethoxy]phenyl]benzamide
SMILESO=C(Nc1ccc(OCCOc2ccc(NC(=O)c3ccc(F)cc3)cc2)cc1)c1ccc(F)cc1
InChIInChI=1S/C28H22F2N2O4/c29-21-5-1-19(2-6-21)27(33)31-23-9-13-25(14-10-23)35-17-18-36-26-15-11-24(12-16-26)32-28(34)20-3-7-22(30)8-4-20/h1-16H,17-18H2,(H,31,33)(H,32,34)
InChIKeyGJAXOBYQTRGRQQ-UHFFFAOYSA-N
MW488.49 g/mol
LogP5.93
Rot. Bonds9

About 4-fluoro-N-[4-[2-[4-[(4-fluorobenzoyl)amino]phenoxy]ethoxy]phenyl]benzamide

4-fluoro-N-[4-[2-[4-[(4-fluorobenzoyl)amino]phenoxy]ethoxy]phenyl]benzamide (PubChem CID 17386974) has the molecular formula C28H22F2N2O4 and a molecular weight of 488.49 g/mol. Its IUPAC name is 4-fluoro-N-[4-[2-[4-[(4-fluorobenzoyl)amino]phenoxy]ethoxy]phenyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[4-[2-[4-[(4-fluorobenzoyl)amino]phenoxy]ethoxy]phenyl]benzamide
PubChem CID17386974
Molecular FormulaC28H22F2N2O4
Molecular Weight488.49 g/mol
Exact Mass488.15
IUPAC Name4-fluoro-N-[4-[2-[4-[(4-fluorobenzoyl)amino]phenoxy]ethoxy]phenyl]benzamide
SMILESO=C(Nc1ccc(OCCOc2ccc(NC(=O)c3ccc(F)cc3)cc2)cc1)c1ccc(F)cc1
InChIInChI=1S/C28H22F2N2O4/c29-21-5-1-19(2-6-21)27(33)31-23-9-13-25(14-10-23)35-17-18-36-26-15-11-24(12-16-26)32-28(34)20-3-7-22(30)8-4-20/h1-16H,17-18H2,(H,31,33)(H,32,34)
InChIKeyGJAXOBYQTRGRQQ-UHFFFAOYSA-N
XLogP5.93
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.49
LogP ≤ 55.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-fluoro-N-[4-[2-[4-[(4-fluorobenzoyl)amino]phenoxy]ethoxy]phenyl]benzamide with MolForge

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

Launch Full Analysis

Related Compounds

4-(2-methoxyethoxy)-N-[4-(2-methoxyethoxy)phenyl]benzamide
CID 15943272
methyl 4-[[4-(2-methoxyethoxy)phenyl]carbamoyl]benzoate
CID 17178280
4-(2-ethoxyethoxy)-N-[4-[[4-(2-ethoxyethoxy)benzoyl]amino]phenyl]benzamide
CID 17113406
N-(4-ethoxyphenyl)-4-[[2-(4-fluorophenoxy)acetyl]amino]benzamide
CID 26218143
2-[4-[[4-[(4-fluorophenyl)diazenyl]phenyl]carbamoyl]phenoxy]ethyl [iodo(methyl)-λ3-iodanyl]formate
CID 149174607
4-(2-methoxyethoxy)-N-phenylbenzamide
CID 15943269
N-(4-ethoxyphenyl)-4-(2-phenoxyethoxy)benzamide
CID 4952680
N-[4-(2-methoxyethoxy)phenyl]-4-(methoxymethyl)benzamide
CID 46441939
N-(3-fluorophenyl)-4-(2-phenoxyethoxy)benzamide
CID 54788417
4-(4-oxopentoxy)-N-[4-[[4-(4-oxopentoxy)benzoyl]amino]phenyl]benzamide
CID 23520545
N-(4-fluorophenyl)-4-(4-methylphenoxy)benzamide
CID 16651045
(2S)-2-[4-[(4-fluorophenyl)carbamoyl]phenoxy]propanoic acid
CID 733394

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[4-[2-[4-[(4-fluorobenzoyl)amino]phenoxy]ethoxy]phenyl]benzamide?
The IUPAC name of 4-fluoro-N-[4-[2-[4-[(4-fluorobenzoyl)amino]phenoxy]ethoxy]phenyl]benzamide (CID 17386974) is 4-fluoro-N-[4-[2-[4-[(4-fluorobenzoyl)amino]phenoxy]ethoxy]phenyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[4-[2-[4-[(4-fluorobenzoyl)amino]phenoxy]ethoxy]phenyl]benzamide?
The canonical SMILES for 4-fluoro-N-[4-[2-[4-[(4-fluorobenzoyl)amino]phenoxy]ethoxy]phenyl]benzamide is O=C(Nc1ccc(OCCOc2ccc(NC(=O)c3ccc(F)cc3)cc2)cc1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[4-[2-[4-[(4-fluorobenzoyl)amino]phenoxy]ethoxy]phenyl]benzamide?
The InChIKey is GJAXOBYQTRGRQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22F2N2O4/c29-21-5-1-19(2-6-21)27(33)31-23-9-13-25(14-10-23)35-17-18-36-26-15-11-24(12-16-26)32-28(34)20-3-7-22(30)8-4-20/h1-16H,17-18H2,(H,31,33)(H,32,34).
What are the key properties of 4-fluoro-N-[4-[2-[4-[(4-fluorobenzoyl)amino]phenoxy]ethoxy]phenyl]benzamide?
4-fluoro-N-[4-[2-[4-[(4-fluorobenzoyl)amino]phenoxy]ethoxy]phenyl]benzamide has a molecular weight of 488.49 g/mol, XLogP of 5.93, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[4-[2-[4-[(4-fluorobenzoyl)amino]phenoxy]ethoxy]phenyl]benzamide is sourced from PubChem (CID 17386974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).