2-[[(4R)-8-bromo-3,4-dihydro-2H-chromen-4-yl]amino]acetamide

C11H13BrN2O2 — CID 100735665

IUPAC2-[[(4R)-8-bromo-3,4-dihydro-2H-chromen-4-yl]amino]acetamide
SMILESNC(=O)CN[C@@H]1CCOc2c(Br)cccc21
InChIInChI=1S/C11H13BrN2O2/c12-8-3-1-2-7-9(14-6-10(13)15)4-5-16-11(7)8/h1-3,9,14H,4-6H2,(H2,13,15)/t9-/m1/s1
InChIKeyHYJLDJQDAZNLNH-SECBINFHSA-N
MW285.14 g/mol
LogP1.35
Rot. Bonds3

About 2-[[(4R)-8-bromo-3,4-dihydro-2H-chromen-4-yl]amino]acetamide

2-[[(4R)-8-bromo-3,4-dihydro-2H-chromen-4-yl]amino]acetamide (PubChem CID 100735665) has the molecular formula C11H13BrN2O2 and a molecular weight of 285.14 g/mol. Its IUPAC name is 2-[[(4R)-8-bromo-3,4-dihydro-2H-chromen-4-yl]amino]acetamide.

Molecular Properties

Compound Name2-[[(4R)-8-bromo-3,4-dihydro-2H-chromen-4-yl]amino]acetamide
PubChem CID100735665
Molecular FormulaC11H13BrN2O2
Molecular Weight285.14 g/mol
Exact Mass284.02
IUPAC Name2-[[(4R)-8-bromo-3,4-dihydro-2H-chromen-4-yl]amino]acetamide
SMILESNC(=O)CN[C@@H]1CCOc2c(Br)cccc21
InChIInChI=1S/C11H13BrN2O2/c12-8-3-1-2-7-9(14-6-10(13)15)4-5-16-11(7)8/h1-3,9,14H,4-6H2,(H2,13,15)/t9-/m1/s1
InChIKeyHYJLDJQDAZNLNH-SECBINFHSA-N
XLogP1.35
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.14
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(8-bromo-3,4-dihydro-2H-chromen-4-yl)methanamine
CID 82387181
2-[(8-bromo-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)amino]acetamide
CID 43754744
(4R)-8-bromo-3,4-dihydro-2H-chromen-4-amine;hydrochloride
CID 91844828
8-bromo-3,4-dihydro-2H-chromen-4-amine;hydrochloride
CID 71432700
ethyl 9-bromo-2,3,4,5-tetrahydro-1-benzoxepine-5-carboxylate
CID 82252135
9-bromo-N-propan-2-yl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 43512414
8-ethyl-N-propyl-3,4-dihydro-2H-chromen-4-amine
CID 43512680
butyl 2-(3,4-dihydro-2H-chromen-4-ylamino)acetate
CID 62365383
(3aS,10bR)-7-bromo-1,3,3a,4,5,10b-hexahydro-[1]benzoxepino[4,5-c]pyrrole-2-carboxylic acid
CID 67167104
8-ethyl-N-(2-methylpropyl)-3,4-dihydro-2H-chromen-4-amine
CID 82461392
8-methyl-N-propyl-3,4-dihydro-2H-chromen-4-amine
CID 43511874
4-[(8-propan-2-yl-3,4-dihydro-2H-chromen-4-yl)amino]butan-2-ol
CID 109395509

Frequently Asked Questions

What is the IUPAC name of 2-[[(4R)-8-bromo-3,4-dihydro-2H-chromen-4-yl]amino]acetamide?
The IUPAC name of 2-[[(4R)-8-bromo-3,4-dihydro-2H-chromen-4-yl]amino]acetamide (CID 100735665) is 2-[[(4R)-8-bromo-3,4-dihydro-2H-chromen-4-yl]amino]acetamide.
What is the SMILES notation for 2-[[(4R)-8-bromo-3,4-dihydro-2H-chromen-4-yl]amino]acetamide?
The canonical SMILES for 2-[[(4R)-8-bromo-3,4-dihydro-2H-chromen-4-yl]amino]acetamide is NC(=O)CN[C@@H]1CCOc2c(Br)cccc21.
What is the InChIKey of 2-[[(4R)-8-bromo-3,4-dihydro-2H-chromen-4-yl]amino]acetamide?
The InChIKey is HYJLDJQDAZNLNH-SECBINFHSA-N. The full InChI is InChI=1S/C11H13BrN2O2/c12-8-3-1-2-7-9(14-6-10(13)15)4-5-16-11(7)8/h1-3,9,14H,4-6H2,(H2,13,15)/t9-/m1/s1.
What are the key properties of 2-[[(4R)-8-bromo-3,4-dihydro-2H-chromen-4-yl]amino]acetamide?
2-[[(4R)-8-bromo-3,4-dihydro-2H-chromen-4-yl]amino]acetamide has a molecular weight of 285.14 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4R)-8-bromo-3,4-dihydro-2H-chromen-4-yl]amino]acetamide is sourced from PubChem (CID 100735665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).