N-bromo-N-[(1R)-2,3-dihydro-1H-inden-1-yl]acetamide

C11H12BrNO — CID 87131302

IUPACN-bromo-N-[(1R)-2,3-dihydro-1H-inden-1-yl]acetamide
SMILESCC(=O)N(Br)[C@@H]1CCc2ccccc21
InChIInChI=1S/C11H12BrNO/c1-8(14)13(12)11-7-6-9-4-2-3-5-10(9)11/h2-5,11H,6-7H2,1H3/t11-/m1/s1
InChIKeyHBFHCVJJLCAKAF-LLVKDONJSA-N
MW254.13 g/mol
LogP2.83
Rot. Bonds1

About N-bromo-N-[(1R)-2,3-dihydro-1H-inden-1-yl]acetamide

N-bromo-N-[(1R)-2,3-dihydro-1H-inden-1-yl]acetamide (PubChem CID 87131302) has the molecular formula C11H12BrNO and a molecular weight of 254.13 g/mol. Its IUPAC name is N-bromo-N-[(1R)-2,3-dihydro-1H-inden-1-yl]acetamide.

Molecular Properties

Compound NameN-bromo-N-[(1R)-2,3-dihydro-1H-inden-1-yl]acetamide
PubChem CID87131302
Molecular FormulaC11H12BrNO
Molecular Weight254.13 g/mol
Exact Mass253.01
IUPAC NameN-bromo-N-[(1R)-2,3-dihydro-1H-inden-1-yl]acetamide
SMILESCC(=O)N(Br)[C@@H]1CCc2ccccc21
InChIInChI=1S/C11H12BrNO/c1-8(14)13(12)11-7-6-9-4-2-3-5-10(9)11/h2-5,11H,6-7H2,1H3/t11-/m1/s1
InChIKeyHBFHCVJJLCAKAF-LLVKDONJSA-N
XLogP2.83
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.13
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,3-dihydro-1H-inden-1-yl(methoxy)carbamic acid
CID 87438864
2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetic acid
CID 118026509
(2R)-2-amino-N-(2,3-dihydro-1H-inden-1-yl)-N,3,3-trimethylbutanamide
CID 103928520
2-bromo-N-(2,3-dihydro-1H-inden-1-yl)-N-methylbutanamide
CID 62855378
N-methyl-N-(2-methylprop-2-enyl)-2,3-dihydro-1H-inden-1-amine
CID 134049939
N-(2,3-dihydro-1H-inden-1-yl)-N-methylbut-2-enamide
CID 112725238
4-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-4-oxobutanoic acid
CID 43578444
N-phenyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 915645
N-phenyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 3756805
2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-N-ethylacetamide
CID 134043159
(2R)-2-amino-N-(2,3-dihydro-1H-inden-1-yl)-N,3-dimethylbutanamide
CID 79011570
N-(2,3-dihydro-1H-inden-1-yl)-N-methyl-3,3-diphenylpropanamide
CID 42941217

Frequently Asked Questions

What is the IUPAC name of N-bromo-N-[(1R)-2,3-dihydro-1H-inden-1-yl]acetamide?
The IUPAC name of N-bromo-N-[(1R)-2,3-dihydro-1H-inden-1-yl]acetamide (CID 87131302) is N-bromo-N-[(1R)-2,3-dihydro-1H-inden-1-yl]acetamide.
What is the SMILES notation for N-bromo-N-[(1R)-2,3-dihydro-1H-inden-1-yl]acetamide?
The canonical SMILES for N-bromo-N-[(1R)-2,3-dihydro-1H-inden-1-yl]acetamide is CC(=O)N(Br)[C@@H]1CCc2ccccc21.
What is the InChIKey of N-bromo-N-[(1R)-2,3-dihydro-1H-inden-1-yl]acetamide?
The InChIKey is HBFHCVJJLCAKAF-LLVKDONJSA-N. The full InChI is InChI=1S/C11H12BrNO/c1-8(14)13(12)11-7-6-9-4-2-3-5-10(9)11/h2-5,11H,6-7H2,1H3/t11-/m1/s1.
What are the key properties of N-bromo-N-[(1R)-2,3-dihydro-1H-inden-1-yl]acetamide?
N-bromo-N-[(1R)-2,3-dihydro-1H-inden-1-yl]acetamide has a molecular weight of 254.13 g/mol, XLogP of 2.83, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-bromo-N-[(1R)-2,3-dihydro-1H-inden-1-yl]acetamide is sourced from PubChem (CID 87131302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).