4-fluoro-N-(4-fluorobenzoyl)-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide

C28H26F2N4O3 — CID 25105711

IUPAC4-fluoro-N-(4-fluorobenzoyl)-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide
SMILESO=C(c1ccc(F)cc1)N(CCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)C(=O)c1ccc(F)cc1
InChIInChI=1S/C28H26F2N4O3/c29-21-9-5-19(6-10-21)26(35)33(27(36)20-7-11-22(30)12-8-20)18-17-32-15-13-23(14-16-32)34-25-4-2-1-3-24(25)31-28(34)37/h1-12,23H,13-18H2,(H,31,37)
InChIKeyWHRKLVVTDBQKSK-UHFFFAOYSA-N
MW504.54 g/mol
LogP4.23
Rot. Bonds6

About 4-fluoro-N-(4-fluorobenzoyl)-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide

4-fluoro-N-(4-fluorobenzoyl)-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide (PubChem CID 25105711) has the molecular formula C28H26F2N4O3 and a molecular weight of 504.54 g/mol. Its IUPAC name is 4-fluoro-N-(4-fluorobenzoyl)-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-(4-fluorobenzoyl)-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide
PubChem CID25105711
Molecular FormulaC28H26F2N4O3
Molecular Weight504.54 g/mol
Exact Mass504.20
IUPAC Name4-fluoro-N-(4-fluorobenzoyl)-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide
SMILESO=C(c1ccc(F)cc1)N(CCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)C(=O)c1ccc(F)cc1
InChIInChI=1S/C28H26F2N4O3/c29-21-9-5-19(6-10-21)26(35)33(27(36)20-7-11-22(30)12-8-20)18-17-32-15-13-23(14-16-32)34-25-4-2-1-3-24(25)31-28(34)37/h1-12,23H,13-18H2,(H,31,37)
InChIKeyWHRKLVVTDBQKSK-UHFFFAOYSA-N
XLogP4.23
TPSA78.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.54
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(4-fluorobenzoyl)-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide?
The IUPAC name of 4-fluoro-N-(4-fluorobenzoyl)-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide (CID 25105711) is 4-fluoro-N-(4-fluorobenzoyl)-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide.
What is the SMILES notation for 4-fluoro-N-(4-fluorobenzoyl)-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide?
The canonical SMILES for 4-fluoro-N-(4-fluorobenzoyl)-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide is O=C(c1ccc(F)cc1)N(CCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)C(=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-(4-fluorobenzoyl)-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide?
The InChIKey is WHRKLVVTDBQKSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26F2N4O3/c29-21-9-5-19(6-10-21)26(35)33(27(36)20-7-11-22(30)12-8-20)18-17-32-15-13-23(14-16-32)34-25-4-2-1-3-24(25)31-28(34)37/h1-12,23H,13-18H2,(H,31,37).
What are the key properties of 4-fluoro-N-(4-fluorobenzoyl)-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide?
4-fluoro-N-(4-fluorobenzoyl)-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide has a molecular weight of 504.54 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(4-fluorobenzoyl)-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide is sourced from PubChem (CID 25105711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).