4-acetamido-N-[(2,4-difluorophenyl)methyl]-2-piperidin-1-ylbenzamide

C21H23F2N3O2 — CID 53145922

IUPAC4-acetamido-N-[(2,4-difluorophenyl)methyl]-2-piperidin-1-ylbenzamide
SMILESCC(=O)Nc1ccc(C(=O)NCc2ccc(F)cc2F)c(N2CCCCC2)c1
InChIInChI=1S/C21H23F2N3O2/c1-14(27)25-17-7-8-18(20(12-17)26-9-3-2-4-10-26)21(28)24-13-15-5-6-16(22)11-19(15)23/h5-8,11-12H,2-4,9-10,13H2,1H3,(H,24,28)(H,25,27)
InChIKeyCDZMNHYUABDIDY-UHFFFAOYSA-N
MW387.43 g/mol
LogP3.84
Rot. Bonds5

About 4-acetamido-N-[(2,4-difluorophenyl)methyl]-2-piperidin-1-ylbenzamide

4-acetamido-N-[(2,4-difluorophenyl)methyl]-2-piperidin-1-ylbenzamide (PubChem CID 53145922) has the molecular formula C21H23F2N3O2 and a molecular weight of 387.43 g/mol. Its IUPAC name is 4-acetamido-N-[(2,4-difluorophenyl)methyl]-2-piperidin-1-ylbenzamide.

Molecular Properties

Compound Name4-acetamido-N-[(2,4-difluorophenyl)methyl]-2-piperidin-1-ylbenzamide
PubChem CID53145922
Molecular FormulaC21H23F2N3O2
Molecular Weight387.43 g/mol
Exact Mass387.18
IUPAC Name4-acetamido-N-[(2,4-difluorophenyl)methyl]-2-piperidin-1-ylbenzamide
SMILESCC(=O)Nc1ccc(C(=O)NCc2ccc(F)cc2F)c(N2CCCCC2)c1
InChIInChI=1S/C21H23F2N3O2/c1-14(27)25-17-7-8-18(20(12-17)26-9-3-2-4-10-26)21(28)24-13-15-5-6-16(22)11-19(15)23/h5-8,11-12H,2-4,9-10,13H2,1H3,(H,24,28)(H,25,27)
InChIKeyCDZMNHYUABDIDY-UHFFFAOYSA-N
XLogP3.84
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.43
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-[(2,4-difluorophenyl)methyl]-2-piperidin-1-ylbenzamide?
The IUPAC name of 4-acetamido-N-[(2,4-difluorophenyl)methyl]-2-piperidin-1-ylbenzamide (CID 53145922) is 4-acetamido-N-[(2,4-difluorophenyl)methyl]-2-piperidin-1-ylbenzamide.
What is the SMILES notation for 4-acetamido-N-[(2,4-difluorophenyl)methyl]-2-piperidin-1-ylbenzamide?
The canonical SMILES for 4-acetamido-N-[(2,4-difluorophenyl)methyl]-2-piperidin-1-ylbenzamide is CC(=O)Nc1ccc(C(=O)NCc2ccc(F)cc2F)c(N2CCCCC2)c1.
What is the InChIKey of 4-acetamido-N-[(2,4-difluorophenyl)methyl]-2-piperidin-1-ylbenzamide?
The InChIKey is CDZMNHYUABDIDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F2N3O2/c1-14(27)25-17-7-8-18(20(12-17)26-9-3-2-4-10-26)21(28)24-13-15-5-6-16(22)11-19(15)23/h5-8,11-12H,2-4,9-10,13H2,1H3,(H,24,28)(H,25,27).
What are the key properties of 4-acetamido-N-[(2,4-difluorophenyl)methyl]-2-piperidin-1-ylbenzamide?
4-acetamido-N-[(2,4-difluorophenyl)methyl]-2-piperidin-1-ylbenzamide has a molecular weight of 387.43 g/mol, XLogP of 3.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-[(2,4-difluorophenyl)methyl]-2-piperidin-1-ylbenzamide is sourced from PubChem (CID 53145922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).