N-[3-bromo-2-(dimethylamino)-4-fluorophenyl]-N-(2,6-dioxopiperidin-3-yl)formamide

C14H15BrFN3O3 — CID 170092695

IUPACN-[3-bromo-2-(dimethylamino)-4-fluorophenyl]-N-(2,6-dioxopiperidin-3-yl)formamide
SMILESCN(C)c1c(N(C=O)C2CCC(=O)NC2=O)ccc(F)c1Br
InChIInChI=1S/C14H15BrFN3O3/c1-18(2)13-9(4-3-8(16)12(13)15)19(7-20)10-5-6-11(21)17-14(10)22/h3-4,7,10H,5-6H2,1-2H3,(H,17,21,22)
InChIKeyZNWUDJAAMCYHMT-UHFFFAOYSA-N
MW372.19 g/mol
LogP1.42
Rot. Bonds4

About N-[3-bromo-2-(dimethylamino)-4-fluorophenyl]-N-(2,6-dioxopiperidin-3-yl)formamide

N-[3-bromo-2-(dimethylamino)-4-fluorophenyl]-N-(2,6-dioxopiperidin-3-yl)formamide (PubChem CID 170092695) has the molecular formula C14H15BrFN3O3 and a molecular weight of 372.19 g/mol. Its IUPAC name is N-[3-bromo-2-(dimethylamino)-4-fluorophenyl]-N-(2,6-dioxopiperidin-3-yl)formamide.

Molecular Properties

Compound NameN-[3-bromo-2-(dimethylamino)-4-fluorophenyl]-N-(2,6-dioxopiperidin-3-yl)formamide
PubChem CID170092695
Molecular FormulaC14H15BrFN3O3
Molecular Weight372.19 g/mol
Exact Mass371.03
IUPAC NameN-[3-bromo-2-(dimethylamino)-4-fluorophenyl]-N-(2,6-dioxopiperidin-3-yl)formamide
SMILESCN(C)c1c(N(C=O)C2CCC(=O)NC2=O)ccc(F)c1Br
InChIInChI=1S/C14H15BrFN3O3/c1-18(2)13-9(4-3-8(16)12(13)15)19(7-20)10-5-6-11(21)17-14(10)22/h3-4,7,10H,5-6H2,1-2H3,(H,17,21,22)
InChIKeyZNWUDJAAMCYHMT-UHFFFAOYSA-N
XLogP1.42
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.19
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-bromo-2-(dimethylamino)-4-fluorophenyl]-N-(2,6-dioxopiperidin-3-yl)formamide?
The IUPAC name of N-[3-bromo-2-(dimethylamino)-4-fluorophenyl]-N-(2,6-dioxopiperidin-3-yl)formamide (CID 170092695) is N-[3-bromo-2-(dimethylamino)-4-fluorophenyl]-N-(2,6-dioxopiperidin-3-yl)formamide.
What is the SMILES notation for N-[3-bromo-2-(dimethylamino)-4-fluorophenyl]-N-(2,6-dioxopiperidin-3-yl)formamide?
The canonical SMILES for N-[3-bromo-2-(dimethylamino)-4-fluorophenyl]-N-(2,6-dioxopiperidin-3-yl)formamide is CN(C)c1c(N(C=O)C2CCC(=O)NC2=O)ccc(F)c1Br.
What is the InChIKey of N-[3-bromo-2-(dimethylamino)-4-fluorophenyl]-N-(2,6-dioxopiperidin-3-yl)formamide?
The InChIKey is ZNWUDJAAMCYHMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrFN3O3/c1-18(2)13-9(4-3-8(16)12(13)15)19(7-20)10-5-6-11(21)17-14(10)22/h3-4,7,10H,5-6H2,1-2H3,(H,17,21,22).
What are the key properties of N-[3-bromo-2-(dimethylamino)-4-fluorophenyl]-N-(2,6-dioxopiperidin-3-yl)formamide?
N-[3-bromo-2-(dimethylamino)-4-fluorophenyl]-N-(2,6-dioxopiperidin-3-yl)formamide has a molecular weight of 372.19 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-bromo-2-(dimethylamino)-4-fluorophenyl]-N-(2,6-dioxopiperidin-3-yl)formamide is sourced from PubChem (CID 170092695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).