3,4-difluoro-N-[2-[4-(6-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide

C21H21F3N4O2 — CID 44573728

IUPAC3,4-difluoro-N-[2-[4-(6-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide
SMILESO=C(NCCN1CCC(n2c(=O)[nH]c3ccc(F)cc32)CC1)c1ccc(F)c(F)c1
InChIInChI=1S/C21H21F3N4O2/c22-14-2-4-18-19(12-14)28(21(30)26-18)15-5-8-27(9-6-15)10-7-25-20(29)13-1-3-16(23)17(24)11-13/h1-4,11-12,15H,5-10H2,(H,25,29)(H,26,30)
InChIKeyWCCRPCLBWZNRNV-UHFFFAOYSA-N
MW418.42 g/mol
LogP2.81
Rot. Bonds5

About 3,4-difluoro-N-[2-[4-(6-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide

3,4-difluoro-N-[2-[4-(6-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide (PubChem CID 44573728) has the molecular formula C21H21F3N4O2 and a molecular weight of 418.42 g/mol. Its IUPAC name is 3,4-difluoro-N-[2-[4-(6-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide.

Molecular Properties

Compound Name3,4-difluoro-N-[2-[4-(6-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide
PubChem CID44573728
Molecular FormulaC21H21F3N4O2
Molecular Weight418.42 g/mol
Exact Mass418.16
IUPAC Name3,4-difluoro-N-[2-[4-(6-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide
SMILESO=C(NCCN1CCC(n2c(=O)[nH]c3ccc(F)cc32)CC1)c1ccc(F)c(F)c1
InChIInChI=1S/C21H21F3N4O2/c22-14-2-4-18-19(12-14)28(21(30)26-18)15-5-8-27(9-6-15)10-7-25-20(29)13-1-3-16(23)17(24)11-13/h1-4,11-12,15H,5-10H2,(H,25,29)(H,26,30)
InChIKeyWCCRPCLBWZNRNV-UHFFFAOYSA-N
XLogP2.81
TPSA70.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.42
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-[2-[4-(6-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide?
The IUPAC name of 3,4-difluoro-N-[2-[4-(6-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide (CID 44573728) is 3,4-difluoro-N-[2-[4-(6-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide.
What is the SMILES notation for 3,4-difluoro-N-[2-[4-(6-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide?
The canonical SMILES for 3,4-difluoro-N-[2-[4-(6-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide is O=C(NCCN1CCC(n2c(=O)[nH]c3ccc(F)cc32)CC1)c1ccc(F)c(F)c1.
What is the InChIKey of 3,4-difluoro-N-[2-[4-(6-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide?
The InChIKey is WCCRPCLBWZNRNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N4O2/c22-14-2-4-18-19(12-14)28(21(30)26-18)15-5-8-27(9-6-15)10-7-25-20(29)13-1-3-16(23)17(24)11-13/h1-4,11-12,15H,5-10H2,(H,25,29)(H,26,30).
What are the key properties of 3,4-difluoro-N-[2-[4-(6-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide?
3,4-difluoro-N-[2-[4-(6-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide has a molecular weight of 418.42 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-[2-[4-(6-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide is sourced from PubChem (CID 44573728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).