N-[6-bromo-2-(1-cyclopropylethyl)-3-oxo-1H-isoindol-4-yl]acetamide

C15H17BrN2O2 — CID 155124989

IUPACN-[6-bromo-2-(1-cyclopropylethyl)-3-oxo-1H-isoindol-4-yl]acetamide
SMILESCC(=O)Nc1cc(Br)cc2c1C(=O)N(C(C)C1CC1)C2
InChIInChI=1S/C15H17BrN2O2/c1-8(10-3-4-10)18-7-11-5-12(16)6-13(17-9(2)19)14(11)15(18)20/h5-6,8,10H,3-4,7H2,1-2H3,(H,17,19)
InChIKeyFXEBRYKLMLCRPC-UHFFFAOYSA-N
MW337.22 g/mol
LogP3.16
Rot. Bonds3

About N-[6-bromo-2-(1-cyclopropylethyl)-3-oxo-1H-isoindol-4-yl]acetamide

N-[6-bromo-2-(1-cyclopropylethyl)-3-oxo-1H-isoindol-4-yl]acetamide (PubChem CID 155124989) has the molecular formula C15H17BrN2O2 and a molecular weight of 337.22 g/mol. Its IUPAC name is N-[6-bromo-2-(1-cyclopropylethyl)-3-oxo-1H-isoindol-4-yl]acetamide.

Molecular Properties

Compound NameN-[6-bromo-2-(1-cyclopropylethyl)-3-oxo-1H-isoindol-4-yl]acetamide
PubChem CID155124989
Molecular FormulaC15H17BrN2O2
Molecular Weight337.22 g/mol
Exact Mass336.05
IUPAC NameN-[6-bromo-2-(1-cyclopropylethyl)-3-oxo-1H-isoindol-4-yl]acetamide
SMILESCC(=O)Nc1cc(Br)cc2c1C(=O)N(C(C)C1CC1)C2
InChIInChI=1S/C15H17BrN2O2/c1-8(10-3-4-10)18-7-11-5-12(16)6-13(17-9(2)19)14(11)15(18)20/h5-6,8,10H,3-4,7H2,1-2H3,(H,17,19)
InChIKeyFXEBRYKLMLCRPC-UHFFFAOYSA-N
XLogP3.16
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[6-bromo-2-(1-cyclopropylethyl)-3-oxo-1H-isoindol-4-yl]acetamide?
The IUPAC name of N-[6-bromo-2-(1-cyclopropylethyl)-3-oxo-1H-isoindol-4-yl]acetamide (CID 155124989) is N-[6-bromo-2-(1-cyclopropylethyl)-3-oxo-1H-isoindol-4-yl]acetamide.
What is the SMILES notation for N-[6-bromo-2-(1-cyclopropylethyl)-3-oxo-1H-isoindol-4-yl]acetamide?
The canonical SMILES for N-[6-bromo-2-(1-cyclopropylethyl)-3-oxo-1H-isoindol-4-yl]acetamide is CC(=O)Nc1cc(Br)cc2c1C(=O)N(C(C)C1CC1)C2.
What is the InChIKey of N-[6-bromo-2-(1-cyclopropylethyl)-3-oxo-1H-isoindol-4-yl]acetamide?
The InChIKey is FXEBRYKLMLCRPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O2/c1-8(10-3-4-10)18-7-11-5-12(16)6-13(17-9(2)19)14(11)15(18)20/h5-6,8,10H,3-4,7H2,1-2H3,(H,17,19).
What are the key properties of N-[6-bromo-2-(1-cyclopropylethyl)-3-oxo-1H-isoindol-4-yl]acetamide?
N-[6-bromo-2-(1-cyclopropylethyl)-3-oxo-1H-isoindol-4-yl]acetamide has a molecular weight of 337.22 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-bromo-2-(1-cyclopropylethyl)-3-oxo-1H-isoindol-4-yl]acetamide is sourced from PubChem (CID 155124989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).