N-(2,6-dioxopiperidin-3-yl)-2-fluoro-4-propan-2-ylbenzamide;ethane

C19H29FN2O3 — CID 170749929

IUPACN-(2,6-dioxopiperidin-3-yl)-2-fluoro-4-propan-2-ylbenzamide;ethane
SMILESCC.CC.CC(C)c1ccc(C(=O)NC2CCC(=O)NC2=O)c(F)c1
InChIInChI=1S/C15H17FN2O3.2C2H6/c1-8(2)9-3-4-10(11(16)7-9)14(20)17-12-5-6-13(19)18-15(12)21;2*1-2/h3-4,7-8,12H,5-6H2,1-2H3,(H,17,20)(H,18,19,21);2*1-2H3
InChIKeyRSWCJDOEZNJWJX-UHFFFAOYSA-N
MW352.45 g/mol
LogP3.54
Rot. Bonds3

About N-(2,6-dioxopiperidin-3-yl)-2-fluoro-4-propan-2-ylbenzamide;ethane

N-(2,6-dioxopiperidin-3-yl)-2-fluoro-4-propan-2-ylbenzamide;ethane (PubChem CID 170749929) has the molecular formula C19H29FN2O3 and a molecular weight of 352.45 g/mol. Its IUPAC name is N-(2,6-dioxopiperidin-3-yl)-2-fluoro-4-propan-2-ylbenzamide;ethane.

Molecular Properties

Compound NameN-(2,6-dioxopiperidin-3-yl)-2-fluoro-4-propan-2-ylbenzamide;ethane
PubChem CID170749929
Molecular FormulaC19H29FN2O3
Molecular Weight352.45 g/mol
Exact Mass352.22
IUPAC NameN-(2,6-dioxopiperidin-3-yl)-2-fluoro-4-propan-2-ylbenzamide;ethane
SMILESCC.CC.CC(C)c1ccc(C(=O)NC2CCC(=O)NC2=O)c(F)c1
InChIInChI=1S/C15H17FN2O3.2C2H6/c1-8(2)9-3-4-10(11(16)7-9)14(20)17-12-5-6-13(19)18-15(12)21;2*1-2/h3-4,7-8,12H,5-6H2,1-2H3,(H,17,20)(H,18,19,21);2*1-2H3
InChIKeyRSWCJDOEZNJWJX-UHFFFAOYSA-N
XLogP3.54
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.45
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dioxopiperidin-3-yl)-2-fluoro-4-propan-2-ylbenzamide;ethane?
The IUPAC name of N-(2,6-dioxopiperidin-3-yl)-2-fluoro-4-propan-2-ylbenzamide;ethane (CID 170749929) is N-(2,6-dioxopiperidin-3-yl)-2-fluoro-4-propan-2-ylbenzamide;ethane.
What is the SMILES notation for N-(2,6-dioxopiperidin-3-yl)-2-fluoro-4-propan-2-ylbenzamide;ethane?
The canonical SMILES for N-(2,6-dioxopiperidin-3-yl)-2-fluoro-4-propan-2-ylbenzamide;ethane is CC.CC.CC(C)c1ccc(C(=O)NC2CCC(=O)NC2=O)c(F)c1.
What is the InChIKey of N-(2,6-dioxopiperidin-3-yl)-2-fluoro-4-propan-2-ylbenzamide;ethane?
The InChIKey is RSWCJDOEZNJWJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O3.2C2H6/c1-8(2)9-3-4-10(11(16)7-9)14(20)17-12-5-6-13(19)18-15(12)21;2*1-2/h3-4,7-8,12H,5-6H2,1-2H3,(H,17,20)(H,18,19,21);2*1-2H3.
What are the key properties of N-(2,6-dioxopiperidin-3-yl)-2-fluoro-4-propan-2-ylbenzamide;ethane?
N-(2,6-dioxopiperidin-3-yl)-2-fluoro-4-propan-2-ylbenzamide;ethane has a molecular weight of 352.45 g/mol, XLogP of 3.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dioxopiperidin-3-yl)-2-fluoro-4-propan-2-ylbenzamide;ethane is sourced from PubChem (CID 170749929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).