N-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]carbamoyl bromide

C11H11BrN2O2 — CID 115193579

IUPACN-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]carbamoyl bromide
SMILESCN1C(=O)Cc2cc(CNC(=O)Br)ccc21
InChIInChI=1S/C11H11BrN2O2/c1-14-9-3-2-7(6-13-11(12)16)4-8(9)5-10(14)15/h2-4H,5-6H2,1H3,(H,13,16)
InChIKeyVBBKGUMHBLEOHQ-UHFFFAOYSA-N
MW283.13 g/mol
LogP1.81
Rot. Bonds2

About N-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]carbamoyl bromide

N-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]carbamoyl bromide (PubChem CID 115193579) has the molecular formula C11H11BrN2O2 and a molecular weight of 283.13 g/mol. Its IUPAC name is N-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]carbamoyl bromide.

Molecular Properties

Compound NameN-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]carbamoyl bromide
PubChem CID115193579
Molecular FormulaC11H11BrN2O2
Molecular Weight283.13 g/mol
Exact Mass282.00
IUPAC NameN-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]carbamoyl bromide
SMILESCN1C(=O)Cc2cc(CNC(=O)Br)ccc21
InChIInChI=1S/C11H11BrN2O2/c1-14-9-3-2-7(6-13-11(12)16)4-8(9)5-10(14)15/h2-4H,5-6H2,1H3,(H,13,16)
InChIKeyVBBKGUMHBLEOHQ-UHFFFAOYSA-N
XLogP1.81
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.13
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

N-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]carbamoyl bromide
CID 115193913
1-amino-3-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]urea
CID 115192631
N-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]azetidine-1-carboxamide
CID 146105714
2-ethyl-N-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]butanamide
CID 110781420
4-methyl-N-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]benzamide
CID 110781426
N-benzyl-2-(1-methyl-2-oxo-3H-indol-5-yl)acetamide
CID 110768263
N-(cyanomethyl)-2-(1-methyl-2-oxo-3H-indol-5-yl)acetamide
CID 82477992
N-(2-aminoethyl)-2-(1-methyl-2-oxo-3H-indol-5-yl)acetamide
CID 82295802
N-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]carbamoyl chloride
CID 115194905
1-methyl-5-(3-oxobutyl)-3H-indol-2-one
CID 82471813
N-(1-methyl-2-oxo-3H-indol-5-yl)carbamoyl bromide
CID 115193255
1-methyl-N-[(4-methylphenyl)methyl]-2-oxo-3H-indole-5-carboxamide
CID 52986160

Frequently Asked Questions

What is the IUPAC name of N-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]carbamoyl bromide?
The IUPAC name of N-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]carbamoyl bromide (CID 115193579) is N-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]carbamoyl bromide.
What is the SMILES notation for N-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]carbamoyl bromide?
The canonical SMILES for N-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]carbamoyl bromide is CN1C(=O)Cc2cc(CNC(=O)Br)ccc21.
What is the InChIKey of N-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]carbamoyl bromide?
The InChIKey is VBBKGUMHBLEOHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O2/c1-14-9-3-2-7(6-13-11(12)16)4-8(9)5-10(14)15/h2-4H,5-6H2,1H3,(H,13,16).
What are the key properties of N-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]carbamoyl bromide?
N-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]carbamoyl bromide has a molecular weight of 283.13 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]carbamoyl bromide is sourced from PubChem (CID 115193579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).