5-chloro-2-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]-2-oxoethoxy]-N-[2-(1H-imidazol-5-yl)ethyl]benzamide

C26H26ClFN4O4 — CID 58678192

IUPAC5-chloro-2-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]-2-oxoethoxy]-N-[2-(1H-imidazol-5-yl)ethyl]benzamide
SMILESO=C(NCCc1cnc[nH]1)c1cc(Cl)ccc1OCC(=O)N1CCC(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C26H26ClFN4O4/c27-19-3-6-23(22(13-19)26(35)30-10-7-21-14-29-16-31-21)36-15-24(33)32-11-8-18(9-12-32)25(34)17-1-4-20(28)5-2-17/h1-6,13-14,16,18H,7-12,15H2,(H,29,31)(H,30,35)
InChIKeyYEBYTUKFYKYJRM-UHFFFAOYSA-N
MW512.97 g/mol
LogP3.67
Rot. Bonds9

About 5-chloro-2-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]-2-oxoethoxy]-N-[2-(1H-imidazol-5-yl)ethyl]benzamide

5-chloro-2-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]-2-oxoethoxy]-N-[2-(1H-imidazol-5-yl)ethyl]benzamide (PubChem CID 58678192) has the molecular formula C26H26ClFN4O4 and a molecular weight of 512.97 g/mol. Its IUPAC name is 5-chloro-2-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]-2-oxoethoxy]-N-[2-(1H-imidazol-5-yl)ethyl]benzamide.

Molecular Properties

Compound Name5-chloro-2-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]-2-oxoethoxy]-N-[2-(1H-imidazol-5-yl)ethyl]benzamide
PubChem CID58678192
Molecular FormulaC26H26ClFN4O4
Molecular Weight512.97 g/mol
Exact Mass512.16
IUPAC Name5-chloro-2-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]-2-oxoethoxy]-N-[2-(1H-imidazol-5-yl)ethyl]benzamide
SMILESO=C(NCCc1cnc[nH]1)c1cc(Cl)ccc1OCC(=O)N1CCC(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C26H26ClFN4O4/c27-19-3-6-23(22(13-19)26(35)30-10-7-21-14-29-16-31-21)36-15-24(33)32-11-8-18(9-12-32)25(34)17-1-4-20(28)5-2-17/h1-6,13-14,16,18H,7-12,15H2,(H,29,31)(H,30,35)
InChIKeyYEBYTUKFYKYJRM-UHFFFAOYSA-N
XLogP3.67
TPSA104.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.97
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]-2-oxoethoxy]-N-[2-(1H-imidazol-5-yl)ethyl]benzamide?
The IUPAC name of 5-chloro-2-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]-2-oxoethoxy]-N-[2-(1H-imidazol-5-yl)ethyl]benzamide (CID 58678192) is 5-chloro-2-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]-2-oxoethoxy]-N-[2-(1H-imidazol-5-yl)ethyl]benzamide.
What is the SMILES notation for 5-chloro-2-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]-2-oxoethoxy]-N-[2-(1H-imidazol-5-yl)ethyl]benzamide?
The canonical SMILES for 5-chloro-2-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]-2-oxoethoxy]-N-[2-(1H-imidazol-5-yl)ethyl]benzamide is O=C(NCCc1cnc[nH]1)c1cc(Cl)ccc1OCC(=O)N1CCC(C(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of 5-chloro-2-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]-2-oxoethoxy]-N-[2-(1H-imidazol-5-yl)ethyl]benzamide?
The InChIKey is YEBYTUKFYKYJRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClFN4O4/c27-19-3-6-23(22(13-19)26(35)30-10-7-21-14-29-16-31-21)36-15-24(33)32-11-8-18(9-12-32)25(34)17-1-4-20(28)5-2-17/h1-6,13-14,16,18H,7-12,15H2,(H,29,31)(H,30,35).
What are the key properties of 5-chloro-2-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]-2-oxoethoxy]-N-[2-(1H-imidazol-5-yl)ethyl]benzamide?
5-chloro-2-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]-2-oxoethoxy]-N-[2-(1H-imidazol-5-yl)ethyl]benzamide has a molecular weight of 512.97 g/mol, XLogP of 3.67, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]-2-oxoethoxy]-N-[2-(1H-imidazol-5-yl)ethyl]benzamide is sourced from PubChem (CID 58678192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).