2-(5-bromo-2,3-dioxoindol-1-yl)-N-(1-methoxypropan-2-yl)acetamide

C14H15BrN2O4 — CID 61487892

IUPAC2-(5-bromo-2,3-dioxoindol-1-yl)-N-(1-methoxypropan-2-yl)acetamide
SMILESCOCC(C)NC(=O)CN1C(=O)C(=O)c2cc(Br)ccc21
InChIInChI=1S/C14H15BrN2O4/c1-8(7-21-2)16-12(18)6-17-11-4-3-9(15)5-10(11)13(19)14(17)20/h3-5,8H,6-7H2,1-2H3,(H,16,18)
InChIKeyBBWJODWTRWWBJN-UHFFFAOYSA-N
MW355.19 g/mol
LogP1.13
Rot. Bonds5

About 2-(5-bromo-2,3-dioxoindol-1-yl)-N-(1-methoxypropan-2-yl)acetamide

2-(5-bromo-2,3-dioxoindol-1-yl)-N-(1-methoxypropan-2-yl)acetamide (PubChem CID 61487892) has the molecular formula C14H15BrN2O4 and a molecular weight of 355.19 g/mol. Its IUPAC name is 2-(5-bromo-2,3-dioxoindol-1-yl)-N-(1-methoxypropan-2-yl)acetamide.

Molecular Properties

Compound Name2-(5-bromo-2,3-dioxoindol-1-yl)-N-(1-methoxypropan-2-yl)acetamide
PubChem CID61487892
Molecular FormulaC14H15BrN2O4
Molecular Weight355.19 g/mol
Exact Mass354.02
IUPAC Name2-(5-bromo-2,3-dioxoindol-1-yl)-N-(1-methoxypropan-2-yl)acetamide
SMILESCOCC(C)NC(=O)CN1C(=O)C(=O)c2cc(Br)ccc21
InChIInChI=1S/C14H15BrN2O4/c1-8(7-21-2)16-12(18)6-17-11-4-3-9(15)5-10(11)13(19)14(17)20/h3-5,8H,6-7H2,1-2H3,(H,16,18)
InChIKeyBBWJODWTRWWBJN-UHFFFAOYSA-N
XLogP1.13
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.19
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(5-bromo-2,3-dioxoindol-1-yl)-N-(3-methoxypropyl)acetamide
CID 61486272
2-(6-fluoro-2,3-dioxoindol-1-yl)-N-(1-methoxypropan-2-yl)acetamide
CID 61487935
2-(5-bromo-2,3-dioxoindol-1-yl)-N-butylacetamide
CID 61485417
2-(5-methoxy-2,3-dioxoindol-1-yl)-N-propan-2-ylacetamide
CID 61355137
2-(6-bromo-2,3-dioxoindol-1-yl)-N-pentan-3-ylacetamide
CID 60707228
methyl (E)-2-[(5-bromo-2,3-dioxoindol-1-yl)methyl]-3-phenylprop-2-enoate
CID 73350893
5-bromo-1-(2-oxopentyl)indole-2,3-dione
CID 62041410
2-(6-bromo-4-oxoquinolin-1-yl)-N-[(2R)-1-methoxypropan-2-yl]acetamide
CID 100737711
2-[(4S)-4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(2R)-1-methoxypropan-2-yl]acetamide
CID 7177945
2-(5-methyl-2,3-dioxoindol-1-yl)-N-pentan-3-ylacetamide
CID 61490183
2-(4-bromo-2-fluoroanilino)-N-(1-methoxypropan-2-yl)acetamide
CID 51252744
3-(5-bromo-2,3-dioxoindol-1-yl)-N-ethylpropanamide
CID 62325001

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2,3-dioxoindol-1-yl)-N-(1-methoxypropan-2-yl)acetamide?
The IUPAC name of 2-(5-bromo-2,3-dioxoindol-1-yl)-N-(1-methoxypropan-2-yl)acetamide (CID 61487892) is 2-(5-bromo-2,3-dioxoindol-1-yl)-N-(1-methoxypropan-2-yl)acetamide.
What is the SMILES notation for 2-(5-bromo-2,3-dioxoindol-1-yl)-N-(1-methoxypropan-2-yl)acetamide?
The canonical SMILES for 2-(5-bromo-2,3-dioxoindol-1-yl)-N-(1-methoxypropan-2-yl)acetamide is COCC(C)NC(=O)CN1C(=O)C(=O)c2cc(Br)ccc21.
What is the InChIKey of 2-(5-bromo-2,3-dioxoindol-1-yl)-N-(1-methoxypropan-2-yl)acetamide?
The InChIKey is BBWJODWTRWWBJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O4/c1-8(7-21-2)16-12(18)6-17-11-4-3-9(15)5-10(11)13(19)14(17)20/h3-5,8H,6-7H2,1-2H3,(H,16,18).
What are the key properties of 2-(5-bromo-2,3-dioxoindol-1-yl)-N-(1-methoxypropan-2-yl)acetamide?
2-(5-bromo-2,3-dioxoindol-1-yl)-N-(1-methoxypropan-2-yl)acetamide has a molecular weight of 355.19 g/mol, XLogP of 1.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2,3-dioxoindol-1-yl)-N-(1-methoxypropan-2-yl)acetamide is sourced from PubChem (CID 61487892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).