6-bromo-N-methoxy-N-methyl-3,4-dihydro-2H-chromene-2-carboxamide

C12H14BrNO3 — CID 127263503

IUPAC6-bromo-N-methoxy-N-methyl-3,4-dihydro-2H-chromene-2-carboxamide
SMILESCON(C)C(=O)C1CCc2cc(Br)ccc2O1
InChIInChI=1S/C12H14BrNO3/c1-14(16-2)12(15)11-5-3-8-7-9(13)4-6-10(8)17-11/h4,6-7,11H,3,5H2,1-2H3
InChIKeyRLSWFVRUVPDQFF-UHFFFAOYSA-N
MW300.15 g/mol
LogP2.16
Rot. Bonds2

About 6-bromo-N-methoxy-N-methyl-3,4-dihydro-2H-chromene-2-carboxamide

6-bromo-N-methoxy-N-methyl-3,4-dihydro-2H-chromene-2-carboxamide (PubChem CID 127263503) has the molecular formula C12H14BrNO3 and a molecular weight of 300.15 g/mol. Its IUPAC name is 6-bromo-N-methoxy-N-methyl-3,4-dihydro-2H-chromene-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-methoxy-N-methyl-3,4-dihydro-2H-chromene-2-carboxamide
PubChem CID127263503
Molecular FormulaC12H14BrNO3
Molecular Weight300.15 g/mol
Exact Mass299.02
IUPAC Name6-bromo-N-methoxy-N-methyl-3,4-dihydro-2H-chromene-2-carboxamide
SMILESCON(C)C(=O)C1CCc2cc(Br)ccc2O1
InChIInChI=1S/C12H14BrNO3/c1-14(16-2)12(15)11-5-3-8-7-9(13)4-6-10(8)17-11/h4,6-7,11H,3,5H2,1-2H3
InChIKeyRLSWFVRUVPDQFF-UHFFFAOYSA-N
XLogP2.16
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.15
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-N-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide
CID 102567999
propan-2-yl (2R)-6-bromo-3,4-dihydro-2H-chromene-2-carboxylate
CID 137347530
methyl 3-[(2R)-6-bromo-3,4-dihydro-2H-chromen-2-yl]propanoate
CID 138319732
(2S)-5-bromo-N-methoxy-N-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 146165201
tert-butyl 2-(6-bromo-3,4-dihydro-2H-chromen-2-yl)-2-hydroxyacetate
CID 138524200
(2S)-6-methoxy-3,4-dihydro-2H-chromene-2-carboxylic acid
CID 70048394
5-bromo-2,3-dihydro-1-benzofuran-2-carboxamide
CID 130734966
6-bromo-2-(4-methyl-5-prop-1-en-2-ylhepta-1,3,5-trien-2-yl)-3,4-dihydro-2H-chromene
CID 123744207
N-hydroxy-N-methyl-3,4-dihydro-2H-chromene-2-carboxamide
CID 19815598
(2S)-6-methyl-3,4-dihydro-2H-chromene-2-carboxylic acid
CID 94865790
ethane;1-(6-methyl-3,4-dihydro-2H-chromen-2-yl)propan-1-one
CID 143613083
propan-2-yl 6-bromo-2,3-dihydro-1-benzofuran-2-carboxylate
CID 135396958

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-methoxy-N-methyl-3,4-dihydro-2H-chromene-2-carboxamide?
The IUPAC name of 6-bromo-N-methoxy-N-methyl-3,4-dihydro-2H-chromene-2-carboxamide (CID 127263503) is 6-bromo-N-methoxy-N-methyl-3,4-dihydro-2H-chromene-2-carboxamide.
What is the SMILES notation for 6-bromo-N-methoxy-N-methyl-3,4-dihydro-2H-chromene-2-carboxamide?
The canonical SMILES for 6-bromo-N-methoxy-N-methyl-3,4-dihydro-2H-chromene-2-carboxamide is CON(C)C(=O)C1CCc2cc(Br)ccc2O1.
What is the InChIKey of 6-bromo-N-methoxy-N-methyl-3,4-dihydro-2H-chromene-2-carboxamide?
The InChIKey is RLSWFVRUVPDQFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNO3/c1-14(16-2)12(15)11-5-3-8-7-9(13)4-6-10(8)17-11/h4,6-7,11H,3,5H2,1-2H3.
What are the key properties of 6-bromo-N-methoxy-N-methyl-3,4-dihydro-2H-chromene-2-carboxamide?
6-bromo-N-methoxy-N-methyl-3,4-dihydro-2H-chromene-2-carboxamide has a molecular weight of 300.15 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-methoxy-N-methyl-3,4-dihydro-2H-chromene-2-carboxamide is sourced from PubChem (CID 127263503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).