4-amino-5-ethoxy-2-fluoro-N-(1-methylpiperidin-4-yl)benzamide

C15H22FN3O2 — CID 68684038

IUPAC4-amino-5-ethoxy-2-fluoro-N-(1-methylpiperidin-4-yl)benzamide
SMILESCCOc1cc(C(=O)NC2CCN(C)CC2)c(F)cc1N
InChIInChI=1S/C15H22FN3O2/c1-3-21-14-8-11(12(16)9-13(14)17)15(20)18-10-4-6-19(2)7-5-10/h8-10H,3-7,17H2,1-2H3,(H,18,20)
InChIKeyALEUNZHGMMDCGT-UHFFFAOYSA-N
MW295.36 g/mol
LogP1.63
Rot. Bonds4

About 4-amino-5-ethoxy-2-fluoro-N-(1-methylpiperidin-4-yl)benzamide

4-amino-5-ethoxy-2-fluoro-N-(1-methylpiperidin-4-yl)benzamide (PubChem CID 68684038) has the molecular formula C15H22FN3O2 and a molecular weight of 295.36 g/mol. Its IUPAC name is 4-amino-5-ethoxy-2-fluoro-N-(1-methylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name4-amino-5-ethoxy-2-fluoro-N-(1-methylpiperidin-4-yl)benzamide
PubChem CID68684038
Molecular FormulaC15H22FN3O2
Molecular Weight295.36 g/mol
Exact Mass295.17
IUPAC Name4-amino-5-ethoxy-2-fluoro-N-(1-methylpiperidin-4-yl)benzamide
SMILESCCOc1cc(C(=O)NC2CCN(C)CC2)c(F)cc1N
InChIInChI=1S/C15H22FN3O2/c1-3-21-14-8-11(12(16)9-13(14)17)15(20)18-10-4-6-19(2)7-5-10/h8-10H,3-7,17H2,1-2H3,(H,18,20)
InChIKeyALEUNZHGMMDCGT-UHFFFAOYSA-N
XLogP1.63
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-ethoxy-2-fluoro-N-(1-methylpiperidin-4-yl)benzamide?
The IUPAC name of 4-amino-5-ethoxy-2-fluoro-N-(1-methylpiperidin-4-yl)benzamide (CID 68684038) is 4-amino-5-ethoxy-2-fluoro-N-(1-methylpiperidin-4-yl)benzamide.
What is the SMILES notation for 4-amino-5-ethoxy-2-fluoro-N-(1-methylpiperidin-4-yl)benzamide?
The canonical SMILES for 4-amino-5-ethoxy-2-fluoro-N-(1-methylpiperidin-4-yl)benzamide is CCOc1cc(C(=O)NC2CCN(C)CC2)c(F)cc1N.
What is the InChIKey of 4-amino-5-ethoxy-2-fluoro-N-(1-methylpiperidin-4-yl)benzamide?
The InChIKey is ALEUNZHGMMDCGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O2/c1-3-21-14-8-11(12(16)9-13(14)17)15(20)18-10-4-6-19(2)7-5-10/h8-10H,3-7,17H2,1-2H3,(H,18,20).
What are the key properties of 4-amino-5-ethoxy-2-fluoro-N-(1-methylpiperidin-4-yl)benzamide?
4-amino-5-ethoxy-2-fluoro-N-(1-methylpiperidin-4-yl)benzamide has a molecular weight of 295.36 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-ethoxy-2-fluoro-N-(1-methylpiperidin-4-yl)benzamide is sourced from PubChem (CID 68684038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).