2,4-difluoro-5-[(1-methylpiperidin-2-yl)methylamino]benzamide

C14H19F2N3O — CID 62654717

IUPAC2,4-difluoro-5-[(1-methylpiperidin-2-yl)methylamino]benzamide
SMILESCN1CCCCC1CNc1cc(C(N)=O)c(F)cc1F
InChIInChI=1S/C14H19F2N3O/c1-19-5-3-2-4-9(19)8-18-13-6-10(14(17)20)11(15)7-12(13)16/h6-7,9,18H,2-5,8H2,1H3,(H2,17,20)
InChIKeyIQQXKESTYIYOHN-UHFFFAOYSA-N
MW283.32 g/mol
LogP1.96
Rot. Bonds4

About 2,4-difluoro-5-[(1-methylpiperidin-2-yl)methylamino]benzamide

2,4-difluoro-5-[(1-methylpiperidin-2-yl)methylamino]benzamide (PubChem CID 62654717) has the molecular formula C14H19F2N3O and a molecular weight of 283.32 g/mol. Its IUPAC name is 2,4-difluoro-5-[(1-methylpiperidin-2-yl)methylamino]benzamide.

Molecular Properties

Compound Name2,4-difluoro-5-[(1-methylpiperidin-2-yl)methylamino]benzamide
PubChem CID62654717
Molecular FormulaC14H19F2N3O
Molecular Weight283.32 g/mol
Exact Mass283.15
IUPAC Name2,4-difluoro-5-[(1-methylpiperidin-2-yl)methylamino]benzamide
SMILESCN1CCCCC1CNc1cc(C(N)=O)c(F)cc1F
InChIInChI=1S/C14H19F2N3O/c1-19-5-3-2-4-9(19)8-18-13-6-10(14(17)20)11(15)7-12(13)16/h6-7,9,18H,2-5,8H2,1H3,(H2,17,20)
InChIKeyIQQXKESTYIYOHN-UHFFFAOYSA-N
XLogP1.96
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-5-[(1-methylpiperidin-2-yl)methylamino]benzamide?
The IUPAC name of 2,4-difluoro-5-[(1-methylpiperidin-2-yl)methylamino]benzamide (CID 62654717) is 2,4-difluoro-5-[(1-methylpiperidin-2-yl)methylamino]benzamide.
What is the SMILES notation for 2,4-difluoro-5-[(1-methylpiperidin-2-yl)methylamino]benzamide?
The canonical SMILES for 2,4-difluoro-5-[(1-methylpiperidin-2-yl)methylamino]benzamide is CN1CCCCC1CNc1cc(C(N)=O)c(F)cc1F.
What is the InChIKey of 2,4-difluoro-5-[(1-methylpiperidin-2-yl)methylamino]benzamide?
The InChIKey is IQQXKESTYIYOHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N3O/c1-19-5-3-2-4-9(19)8-18-13-6-10(14(17)20)11(15)7-12(13)16/h6-7,9,18H,2-5,8H2,1H3,(H2,17,20).
What are the key properties of 2,4-difluoro-5-[(1-methylpiperidin-2-yl)methylamino]benzamide?
2,4-difluoro-5-[(1-methylpiperidin-2-yl)methylamino]benzamide has a molecular weight of 283.32 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-5-[(1-methylpiperidin-2-yl)methylamino]benzamide is sourced from PubChem (CID 62654717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).