2-(7-bromo-2,3-dioxoindol-1-yl)-N-(cyclopropylmethyl)acetamide

C14H13BrN2O3 — CID 61356503

IUPAC2-(7-bromo-2,3-dioxoindol-1-yl)-N-(cyclopropylmethyl)acetamide
SMILESO=C(CN1C(=O)C(=O)c2cccc(Br)c21)NCC1CC1
InChIInChI=1S/C14H13BrN2O3/c15-10-3-1-2-9-12(10)17(14(20)13(9)19)7-11(18)16-6-8-4-5-8/h1-3,8H,4-7H2,(H,16,18)
InChIKeyUBGSPTRJPZADEI-UHFFFAOYSA-N
MW337.17 g/mol
LogP1.50
Rot. Bonds4

About 2-(7-bromo-2,3-dioxoindol-1-yl)-N-(cyclopropylmethyl)acetamide

2-(7-bromo-2,3-dioxoindol-1-yl)-N-(cyclopropylmethyl)acetamide (PubChem CID 61356503) has the molecular formula C14H13BrN2O3 and a molecular weight of 337.17 g/mol. Its IUPAC name is 2-(7-bromo-2,3-dioxoindol-1-yl)-N-(cyclopropylmethyl)acetamide.

Molecular Properties

Compound Name2-(7-bromo-2,3-dioxoindol-1-yl)-N-(cyclopropylmethyl)acetamide
PubChem CID61356503
Molecular FormulaC14H13BrN2O3
Molecular Weight337.17 g/mol
Exact Mass336.01
IUPAC Name2-(7-bromo-2,3-dioxoindol-1-yl)-N-(cyclopropylmethyl)acetamide
SMILESO=C(CN1C(=O)C(=O)c2cccc(Br)c21)NCC1CC1
InChIInChI=1S/C14H13BrN2O3/c15-10-3-1-2-9-12(10)17(14(20)13(9)19)7-11(18)16-6-8-4-5-8/h1-3,8H,4-7H2,(H,16,18)
InChIKeyUBGSPTRJPZADEI-UHFFFAOYSA-N
XLogP1.50
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.17
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-bromo-1-(cyclopropylmethyl)indole-2,3-dione
CID 61356437
N-(cyclopropylmethyl)-2-(7-fluoro-5-methyl-2,3-dioxoindol-1-yl)acetamide
CID 61356957
7-bromo-1-[2-[(cyclopropylamino)methyl]prop-2-enyl]indole-2,3-dione
CID 103072125
7-bromo-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]indole-2,3-dione
CID 17447980
7-bromo-1-(2-oxo-2-pyrrolidin-1-ylethyl)indole-2,3-dione
CID 60711537
ethyl 4-(7-bromo-2,3-dioxoindol-1-yl)-3-oxobutanoate
CID 63896840
2-(7-bromo-2,3-dioxoindol-1-yl)-N-ethyl-N-methylacetamide
CID 61356667
7-bromo-1-(2-hydroxyethyl)indole-2,3-dione
CID 61357109
7-bromo-1-pentylindole-2,3-dione
CID 61356330
7-bromo-1-(2-methylidenebutyl)indole-2,3-dione
CID 66046443
7-bromo-1-(5-hydroxypentyl)indole-2,3-dione
CID 62226920
7-bromo-1-[2-(furan-2-yl)-2-oxoethyl]indole-2,3-dione
CID 62024581

Frequently Asked Questions

What is the IUPAC name of 2-(7-bromo-2,3-dioxoindol-1-yl)-N-(cyclopropylmethyl)acetamide?
The IUPAC name of 2-(7-bromo-2,3-dioxoindol-1-yl)-N-(cyclopropylmethyl)acetamide (CID 61356503) is 2-(7-bromo-2,3-dioxoindol-1-yl)-N-(cyclopropylmethyl)acetamide.
What is the SMILES notation for 2-(7-bromo-2,3-dioxoindol-1-yl)-N-(cyclopropylmethyl)acetamide?
The canonical SMILES for 2-(7-bromo-2,3-dioxoindol-1-yl)-N-(cyclopropylmethyl)acetamide is O=C(CN1C(=O)C(=O)c2cccc(Br)c21)NCC1CC1.
What is the InChIKey of 2-(7-bromo-2,3-dioxoindol-1-yl)-N-(cyclopropylmethyl)acetamide?
The InChIKey is UBGSPTRJPZADEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O3/c15-10-3-1-2-9-12(10)17(14(20)13(9)19)7-11(18)16-6-8-4-5-8/h1-3,8H,4-7H2,(H,16,18).
What are the key properties of 2-(7-bromo-2,3-dioxoindol-1-yl)-N-(cyclopropylmethyl)acetamide?
2-(7-bromo-2,3-dioxoindol-1-yl)-N-(cyclopropylmethyl)acetamide has a molecular weight of 337.17 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-bromo-2,3-dioxoindol-1-yl)-N-(cyclopropylmethyl)acetamide is sourced from PubChem (CID 61356503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).