2-[[2-(2-methoxyethoxy)benzoyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide

C24H21F3N2O4 — CID 56593320

IUPAC2-[[2-(2-methoxyethoxy)benzoyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESCOCCOc1ccccc1C(=O)Nc1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C24H21F3N2O4/c1-32-13-14-33-21-12-5-3-10-19(21)23(31)29-20-11-4-2-9-18(20)22(30)28-17-8-6-7-16(15-17)24(25,26)27/h2-12,15H,13-14H2,1H3,(H,28,30)(H,29,31)
InChIKeyJOBVMXATFOWLBC-UHFFFAOYSA-N
MW458.44 g/mol
LogP5.24
Rot. Bonds8

About 2-[[2-(2-methoxyethoxy)benzoyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide

2-[[2-(2-methoxyethoxy)benzoyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide (PubChem CID 56593320) has the molecular formula C24H21F3N2O4 and a molecular weight of 458.44 g/mol. Its IUPAC name is 2-[[2-(2-methoxyethoxy)benzoyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name2-[[2-(2-methoxyethoxy)benzoyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
PubChem CID56593320
Molecular FormulaC24H21F3N2O4
Molecular Weight458.44 g/mol
Exact Mass458.15
IUPAC Name2-[[2-(2-methoxyethoxy)benzoyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESCOCCOc1ccccc1C(=O)Nc1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C24H21F3N2O4/c1-32-13-14-33-21-12-5-3-10-19(21)23(31)29-20-11-4-2-9-18(20)22(30)28-17-8-6-7-16(15-17)24(25,26)27/h2-12,15H,13-14H2,1H3,(H,28,30)(H,29,31)
InChIKeyJOBVMXATFOWLBC-UHFFFAOYSA-N
XLogP5.24
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.44
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-methoxyethoxy)benzoyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 2-[[2-(2-methoxyethoxy)benzoyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide (CID 56593320) is 2-[[2-(2-methoxyethoxy)benzoyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 2-[[2-(2-methoxyethoxy)benzoyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 2-[[2-(2-methoxyethoxy)benzoyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide is COCCOc1ccccc1C(=O)Nc1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[[2-(2-methoxyethoxy)benzoyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is JOBVMXATFOWLBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N2O4/c1-32-13-14-33-21-12-5-3-10-19(21)23(31)29-20-11-4-2-9-18(20)22(30)28-17-8-6-7-16(15-17)24(25,26)27/h2-12,15H,13-14H2,1H3,(H,28,30)(H,29,31).
What are the key properties of 2-[[2-(2-methoxyethoxy)benzoyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide?
2-[[2-(2-methoxyethoxy)benzoyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 458.44 g/mol, XLogP of 5.24, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-methoxyethoxy)benzoyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 56593320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).