4-fluoro-N-[(2S)-1-[4-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propan-2-yl]benzamide

C22H24F2N4O2 — CID 44573807

IUPAC4-fluoro-N-[(2S)-1-[4-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propan-2-yl]benzamide
SMILESC[C@@H](CN1CCC(n2c(=O)[nH]c3cc(F)ccc32)CC1)NC(=O)c1ccc(F)cc1
InChIInChI=1S/C22H24F2N4O2/c1-14(25-21(29)15-2-4-16(23)5-3-15)13-27-10-8-18(9-11-27)28-20-7-6-17(24)12-19(20)26-22(28)30/h2-7,12,14,18H,8-11,13H2,1H3,(H,25,29)(H,26,30)/t14-/m0/s1
InChIKeyCLNFTEPUMFHWEW-AWEZNQCLSA-N
MW414.46 g/mol
LogP3.06
Rot. Bonds5

About 4-fluoro-N-[(2S)-1-[4-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propan-2-yl]benzamide

4-fluoro-N-[(2S)-1-[4-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propan-2-yl]benzamide (PubChem CID 44573807) has the molecular formula C22H24F2N4O2 and a molecular weight of 414.46 g/mol. Its IUPAC name is 4-fluoro-N-[(2S)-1-[4-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propan-2-yl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[(2S)-1-[4-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propan-2-yl]benzamide
PubChem CID44573807
Molecular FormulaC22H24F2N4O2
Molecular Weight414.46 g/mol
Exact Mass414.19
IUPAC Name4-fluoro-N-[(2S)-1-[4-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propan-2-yl]benzamide
SMILESC[C@@H](CN1CCC(n2c(=O)[nH]c3cc(F)ccc32)CC1)NC(=O)c1ccc(F)cc1
InChIInChI=1S/C22H24F2N4O2/c1-14(25-21(29)15-2-4-16(23)5-3-15)13-27-10-8-18(9-11-27)28-20-7-6-17(24)12-19(20)26-22(28)30/h2-7,12,14,18H,8-11,13H2,1H3,(H,25,29)(H,26,30)/t14-/m0/s1
InChIKeyCLNFTEPUMFHWEW-AWEZNQCLSA-N
XLogP3.06
TPSA70.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.46
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(2S)-1-[4-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propan-2-yl]benzamide?
The IUPAC name of 4-fluoro-N-[(2S)-1-[4-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propan-2-yl]benzamide (CID 44573807) is 4-fluoro-N-[(2S)-1-[4-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propan-2-yl]benzamide.
What is the SMILES notation for 4-fluoro-N-[(2S)-1-[4-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propan-2-yl]benzamide?
The canonical SMILES for 4-fluoro-N-[(2S)-1-[4-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propan-2-yl]benzamide is C[C@@H](CN1CCC(n2c(=O)[nH]c3cc(F)ccc32)CC1)NC(=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[(2S)-1-[4-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propan-2-yl]benzamide?
The InChIKey is CLNFTEPUMFHWEW-AWEZNQCLSA-N. The full InChI is InChI=1S/C22H24F2N4O2/c1-14(25-21(29)15-2-4-16(23)5-3-15)13-27-10-8-18(9-11-27)28-20-7-6-17(24)12-19(20)26-22(28)30/h2-7,12,14,18H,8-11,13H2,1H3,(H,25,29)(H,26,30)/t14-/m0/s1.
What are the key properties of 4-fluoro-N-[(2S)-1-[4-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propan-2-yl]benzamide?
4-fluoro-N-[(2S)-1-[4-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propan-2-yl]benzamide has a molecular weight of 414.46 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(2S)-1-[4-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propan-2-yl]benzamide is sourced from PubChem (CID 44573807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).