N-cyclopropyl-2,6-difluoro-4-[2-[2-(1-methylpiperidin-4-yl)cyclopropyl]ethoxy]benzamide

C21H28F2N2O2 — CID 129309849

IUPACN-cyclopropyl-2,6-difluoro-4-[2-[2-(1-methylpiperidin-4-yl)cyclopropyl]ethoxy]benzamide
SMILESCN1CCC(C2CC2CCOc2cc(F)c(C(=O)NC3CC3)c(F)c2)CC1
InChIInChI=1S/C21H28F2N2O2/c1-25-7-4-13(5-8-25)17-10-14(17)6-9-27-16-11-18(22)20(19(23)12-16)21(26)24-15-2-3-15/h11-15,17H,2-10H2,1H3,(H,24,26)
InChIKeyRBRHYURYQAPAAX-UHFFFAOYSA-N
MW378.46 g/mol
LogP3.60
Rot. Bonds7

About N-cyclopropyl-2,6-difluoro-4-[2-[2-(1-methylpiperidin-4-yl)cyclopropyl]ethoxy]benzamide

N-cyclopropyl-2,6-difluoro-4-[2-[2-(1-methylpiperidin-4-yl)cyclopropyl]ethoxy]benzamide (PubChem CID 129309849) has the molecular formula C21H28F2N2O2 and a molecular weight of 378.46 g/mol. Its IUPAC name is N-cyclopropyl-2,6-difluoro-4-[2-[2-(1-methylpiperidin-4-yl)cyclopropyl]ethoxy]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-2,6-difluoro-4-[2-[2-(1-methylpiperidin-4-yl)cyclopropyl]ethoxy]benzamide
PubChem CID129309849
Molecular FormulaC21H28F2N2O2
Molecular Weight378.46 g/mol
Exact Mass378.21
IUPAC NameN-cyclopropyl-2,6-difluoro-4-[2-[2-(1-methylpiperidin-4-yl)cyclopropyl]ethoxy]benzamide
SMILESCN1CCC(C2CC2CCOc2cc(F)c(C(=O)NC3CC3)c(F)c2)CC1
InChIInChI=1S/C21H28F2N2O2/c1-25-7-4-13(5-8-25)17-10-14(17)6-9-27-16-11-18(22)20(19(23)12-16)21(26)24-15-2-3-15/h11-15,17H,2-10H2,1H3,(H,24,26)
InChIKeyRBRHYURYQAPAAX-UHFFFAOYSA-N
XLogP3.60
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.46
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2,6-difluoro-4-[2-[2-(1-methylpiperidin-4-yl)cyclopropyl]ethoxy]benzamide?
The IUPAC name of N-cyclopropyl-2,6-difluoro-4-[2-[2-(1-methylpiperidin-4-yl)cyclopropyl]ethoxy]benzamide (CID 129309849) is N-cyclopropyl-2,6-difluoro-4-[2-[2-(1-methylpiperidin-4-yl)cyclopropyl]ethoxy]benzamide.
What is the SMILES notation for N-cyclopropyl-2,6-difluoro-4-[2-[2-(1-methylpiperidin-4-yl)cyclopropyl]ethoxy]benzamide?
The canonical SMILES for N-cyclopropyl-2,6-difluoro-4-[2-[2-(1-methylpiperidin-4-yl)cyclopropyl]ethoxy]benzamide is CN1CCC(C2CC2CCOc2cc(F)c(C(=O)NC3CC3)c(F)c2)CC1.
What is the InChIKey of N-cyclopropyl-2,6-difluoro-4-[2-[2-(1-methylpiperidin-4-yl)cyclopropyl]ethoxy]benzamide?
The InChIKey is RBRHYURYQAPAAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28F2N2O2/c1-25-7-4-13(5-8-25)17-10-14(17)6-9-27-16-11-18(22)20(19(23)12-16)21(26)24-15-2-3-15/h11-15,17H,2-10H2,1H3,(H,24,26).
What are the key properties of N-cyclopropyl-2,6-difluoro-4-[2-[2-(1-methylpiperidin-4-yl)cyclopropyl]ethoxy]benzamide?
N-cyclopropyl-2,6-difluoro-4-[2-[2-(1-methylpiperidin-4-yl)cyclopropyl]ethoxy]benzamide has a molecular weight of 378.46 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2,6-difluoro-4-[2-[2-(1-methylpiperidin-4-yl)cyclopropyl]ethoxy]benzamide is sourced from PubChem (CID 129309849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).