2,4-difluoro-N,5-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide

C15H19F2N3O2 — CID 119454543

IUPAC2,4-difluoro-N,5-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
SMILESCc1cc(C(=O)N(C)CC(=O)N2CCNCC2)c(F)cc1F
InChIInChI=1S/C15H19F2N3O2/c1-10-7-11(13(17)8-12(10)16)15(22)19(2)9-14(21)20-5-3-18-4-6-20/h7-8,18H,3-6,9H2,1-2H3
InChIKeyGZFAVUHAAYHOJR-UHFFFAOYSA-N
MW311.33 g/mol
LogP0.78
Rot. Bonds3

About 2,4-difluoro-N,5-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide

2,4-difluoro-N,5-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide (PubChem CID 119454543) has the molecular formula C15H19F2N3O2 and a molecular weight of 311.33 g/mol. Its IUPAC name is 2,4-difluoro-N,5-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide.

Molecular Properties

Compound Name2,4-difluoro-N,5-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
PubChem CID119454543
Molecular FormulaC15H19F2N3O2
Molecular Weight311.33 g/mol
Exact Mass311.14
IUPAC Name2,4-difluoro-N,5-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
SMILESCc1cc(C(=O)N(C)CC(=O)N2CCNCC2)c(F)cc1F
InChIInChI=1S/C15H19F2N3O2/c1-10-7-11(13(17)8-12(10)16)15(22)19(2)9-14(21)20-5-3-18-4-6-20/h7-8,18H,3-6,9H2,1-2H3
InChIKeyGZFAVUHAAYHOJR-UHFFFAOYSA-N
XLogP0.78
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.33
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N,5-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide?
The IUPAC name of 2,4-difluoro-N,5-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide (CID 119454543) is 2,4-difluoro-N,5-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide.
What is the SMILES notation for 2,4-difluoro-N,5-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide?
The canonical SMILES for 2,4-difluoro-N,5-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide is Cc1cc(C(=O)N(C)CC(=O)N2CCNCC2)c(F)cc1F.
What is the InChIKey of 2,4-difluoro-N,5-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide?
The InChIKey is GZFAVUHAAYHOJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2N3O2/c1-10-7-11(13(17)8-12(10)16)15(22)19(2)9-14(21)20-5-3-18-4-6-20/h7-8,18H,3-6,9H2,1-2H3.
What are the key properties of 2,4-difluoro-N,5-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide?
2,4-difluoro-N,5-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide has a molecular weight of 311.33 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N,5-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide is sourced from PubChem (CID 119454543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).