2-acetamido-N-[2-[4-(5-chloro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-4-fluorobenzamide

C23H25ClFN5O3 — CID 21428813

IUPAC2-acetamido-N-[2-[4-(5-chloro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-4-fluorobenzamide
SMILESCC(=O)Nc1cc(F)ccc1C(=O)NCCN1CCC(n2c(=O)[nH]c3cc(Cl)ccc32)CC1
InChIInChI=1S/C23H25ClFN5O3/c1-14(31)27-19-13-16(25)3-4-18(19)22(32)26-8-11-29-9-6-17(7-10-29)30-21-5-2-15(24)12-20(21)28-23(30)33/h2-5,12-13,17H,6-11H2,1H3,(H,26,32)(H,27,31)(H,28,33)
InChIKeyAYQMHBBIQPIPKQ-UHFFFAOYSA-N
MW473.94 g/mol
LogP3.15
Rot. Bonds6

About 2-acetamido-N-[2-[4-(5-chloro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-4-fluorobenzamide

2-acetamido-N-[2-[4-(5-chloro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-4-fluorobenzamide (PubChem CID 21428813) has the molecular formula C23H25ClFN5O3 and a molecular weight of 473.94 g/mol. Its IUPAC name is 2-acetamido-N-[2-[4-(5-chloro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-4-fluorobenzamide.

Molecular Properties

Compound Name2-acetamido-N-[2-[4-(5-chloro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-4-fluorobenzamide
PubChem CID21428813
Molecular FormulaC23H25ClFN5O3
Molecular Weight473.94 g/mol
Exact Mass473.16
IUPAC Name2-acetamido-N-[2-[4-(5-chloro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-4-fluorobenzamide
SMILESCC(=O)Nc1cc(F)ccc1C(=O)NCCN1CCC(n2c(=O)[nH]c3cc(Cl)ccc32)CC1
InChIInChI=1S/C23H25ClFN5O3/c1-14(31)27-19-13-16(25)3-4-18(19)22(32)26-8-11-29-9-6-17(7-10-29)30-21-5-2-15(24)12-20(21)28-23(30)33/h2-5,12-13,17H,6-11H2,1H3,(H,26,32)(H,27,31)(H,28,33)
InChIKeyAYQMHBBIQPIPKQ-UHFFFAOYSA-N
XLogP3.15
TPSA99.23 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.94
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[2-[4-(5-chloro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-4-fluorobenzamide?
The IUPAC name of 2-acetamido-N-[2-[4-(5-chloro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-4-fluorobenzamide (CID 21428813) is 2-acetamido-N-[2-[4-(5-chloro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-4-fluorobenzamide.
What is the SMILES notation for 2-acetamido-N-[2-[4-(5-chloro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-4-fluorobenzamide?
The canonical SMILES for 2-acetamido-N-[2-[4-(5-chloro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-4-fluorobenzamide is CC(=O)Nc1cc(F)ccc1C(=O)NCCN1CCC(n2c(=O)[nH]c3cc(Cl)ccc32)CC1.
What is the InChIKey of 2-acetamido-N-[2-[4-(5-chloro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-4-fluorobenzamide?
The InChIKey is AYQMHBBIQPIPKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClFN5O3/c1-14(31)27-19-13-16(25)3-4-18(19)22(32)26-8-11-29-9-6-17(7-10-29)30-21-5-2-15(24)12-20(21)28-23(30)33/h2-5,12-13,17H,6-11H2,1H3,(H,26,32)(H,27,31)(H,28,33).
What are the key properties of 2-acetamido-N-[2-[4-(5-chloro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-4-fluorobenzamide?
2-acetamido-N-[2-[4-(5-chloro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-4-fluorobenzamide has a molecular weight of 473.94 g/mol, XLogP of 3.15, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[2-[4-(5-chloro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-4-fluorobenzamide is sourced from PubChem (CID 21428813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).