(2S)-5-bromo-N-methoxy-N-methyl-2,3-dihydro-1H-indole-2-carboxamide

C11H13BrN2O2 — CID 146165201

IUPAC(2S)-5-bromo-N-methoxy-N-methyl-2,3-dihydro-1H-indole-2-carboxamide
SMILESCON(C)C(=O)[C@@H]1Cc2cc(Br)ccc2N1
InChIInChI=1S/C11H13BrN2O2/c1-14(16-2)11(15)10-6-7-5-8(12)3-4-9(7)13-10/h3-5,10,13H,6H2,1-2H3/t10-/m0/s1
InChIKeyBDUMQKNJJRYGLW-JTQLQIEISA-N
MW285.14 g/mol
LogP1.81
Rot. Bonds2

About (2S)-5-bromo-N-methoxy-N-methyl-2,3-dihydro-1H-indole-2-carboxamide

(2S)-5-bromo-N-methoxy-N-methyl-2,3-dihydro-1H-indole-2-carboxamide (PubChem CID 146165201) has the molecular formula C11H13BrN2O2 and a molecular weight of 285.14 g/mol. Its IUPAC name is (2S)-5-bromo-N-methoxy-N-methyl-2,3-dihydro-1H-indole-2-carboxamide.

Molecular Properties

Compound Name(2S)-5-bromo-N-methoxy-N-methyl-2,3-dihydro-1H-indole-2-carboxamide
PubChem CID146165201
Molecular FormulaC11H13BrN2O2
Molecular Weight285.14 g/mol
Exact Mass284.02
IUPAC Name(2S)-5-bromo-N-methoxy-N-methyl-2,3-dihydro-1H-indole-2-carboxamide
SMILESCON(C)C(=O)[C@@H]1Cc2cc(Br)ccc2N1
InChIInChI=1S/C11H13BrN2O2/c1-14(16-2)11(15)10-6-7-5-8(12)3-4-9(7)13-10/h3-5,10,13H,6H2,1-2H3/t10-/m0/s1
InChIKeyBDUMQKNJJRYGLW-JTQLQIEISA-N
XLogP1.81
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.14
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-methoxy-N,N-dimethyl-2,3-dihydro-1H-indole-2-carboxamide
CID 70908053
6-bromo-N-methoxy-N-methyl-3,4-dihydro-2H-chromene-2-carboxamide
CID 127263503
5-bromo-2-methoxy-2,3-dihydro-1H-indole
CID 160760418
benzyl 5-bromo-2,3-dihydro-1H-indole-2-carboxylate
CID 175268961
(2S)-6-bromo-1,2,3,4-tetrahydroquinoline-2-carboxylic acid
CID 97296326
methyl 2-(6-bromo-1,2,3,4-tetrahydroquinolin-2-yl)acetate
CID 10401600
N,N-dimethyl-2,3-dihydro-1H-indole-2-carboxamide
CID 18184482
[(2S)-5-bromo-2,3-dihydro-1H-indol-2-yl]methanol
CID 131181494
methyl (2R)-5-chloro-2,3-dihydro-1H-indole-2-carboxylate
CID 21344957
methyl (3R)-6-bromo-1,2,3,4-tetrahydroisoquinoline-3-carboxylate
CID 139684475
CID 101024891
CID 101024891
trans-(1R,2R)-2-(4-bromophenyl)-N-methoxy-N-methylcyclopropane-1-carboxamide
CID 15141054

Frequently Asked Questions

What is the IUPAC name of (2S)-5-bromo-N-methoxy-N-methyl-2,3-dihydro-1H-indole-2-carboxamide?
The IUPAC name of (2S)-5-bromo-N-methoxy-N-methyl-2,3-dihydro-1H-indole-2-carboxamide (CID 146165201) is (2S)-5-bromo-N-methoxy-N-methyl-2,3-dihydro-1H-indole-2-carboxamide.
What is the SMILES notation for (2S)-5-bromo-N-methoxy-N-methyl-2,3-dihydro-1H-indole-2-carboxamide?
The canonical SMILES for (2S)-5-bromo-N-methoxy-N-methyl-2,3-dihydro-1H-indole-2-carboxamide is CON(C)C(=O)[C@@H]1Cc2cc(Br)ccc2N1.
What is the InChIKey of (2S)-5-bromo-N-methoxy-N-methyl-2,3-dihydro-1H-indole-2-carboxamide?
The InChIKey is BDUMQKNJJRYGLW-JTQLQIEISA-N. The full InChI is InChI=1S/C11H13BrN2O2/c1-14(16-2)11(15)10-6-7-5-8(12)3-4-9(7)13-10/h3-5,10,13H,6H2,1-2H3/t10-/m0/s1.
What are the key properties of (2S)-5-bromo-N-methoxy-N-methyl-2,3-dihydro-1H-indole-2-carboxamide?
(2S)-5-bromo-N-methoxy-N-methyl-2,3-dihydro-1H-indole-2-carboxamide has a molecular weight of 285.14 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-bromo-N-methoxy-N-methyl-2,3-dihydro-1H-indole-2-carboxamide is sourced from PubChem (CID 146165201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).