N-(4-bromophenyl)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanamide

C19H17BrN2O3 — CID 2787045

IUPACN-(4-bromophenyl)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanamide
SMILESCC(C)C(C(=O)Nc1ccc(Br)cc1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C19H17BrN2O3/c1-11(2)16(17(23)21-13-9-7-12(20)8-10-13)22-18(24)14-5-3-4-6-15(14)19(22)25/h3-11,16H,1-2H3,(H,21,23)
InChIKeyIMWGEOYOILNHFC-UHFFFAOYSA-N
MW401.26 g/mol
LogP3.71
Rot. Bonds4

About N-(4-bromophenyl)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanamide

N-(4-bromophenyl)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanamide (PubChem CID 2787045) has the molecular formula C19H17BrN2O3 and a molecular weight of 401.26 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanamide
PubChem CID2787045
Molecular FormulaC19H17BrN2O3
Molecular Weight401.26 g/mol
Exact Mass400.04
IUPAC NameN-(4-bromophenyl)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanamide
SMILESCC(C)C(C(=O)Nc1ccc(Br)cc1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C19H17BrN2O3/c1-11(2)16(17(23)21-13-9-7-12(20)8-10-13)22-18(24)14-5-3-4-6-15(14)19(22)25/h3-11,16H,1-2H3,(H,21,23)
InChIKeyIMWGEOYOILNHFC-UHFFFAOYSA-N
XLogP3.71
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.26
LogP ≤ 53.71
H-Bond Donors ≤ 51
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-(4-bromophenyl)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanamide?
The IUPAC name of N-(4-bromophenyl)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanamide (CID 2787045) is N-(4-bromophenyl)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanamide.
What is the SMILES notation for N-(4-bromophenyl)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanamide?
The canonical SMILES for N-(4-bromophenyl)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanamide is CC(C)C(C(=O)Nc1ccc(Br)cc1)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of N-(4-bromophenyl)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanamide?
The InChIKey is IMWGEOYOILNHFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN2O3/c1-11(2)16(17(23)21-13-9-7-12(20)8-10-13)22-18(24)14-5-3-4-6-15(14)19(22)25/h3-11,16H,1-2H3,(H,21,23).
What are the key properties of N-(4-bromophenyl)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanamide?
N-(4-bromophenyl)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanamide has a molecular weight of 401.26 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanamide is sourced from PubChem (CID 2787045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).