2-bromo-N-(2,3-dihydro-1H-inden-1-yl)-N-methylbutanamide

C14H18BrNO — CID 62855378

IUPAC2-bromo-N-(2,3-dihydro-1H-inden-1-yl)-N-methylbutanamide
SMILESCCC(Br)C(=O)N(C)C1CCc2ccccc21
InChIInChI=1S/C14H18BrNO/c1-3-12(15)14(17)16(2)13-9-8-10-6-4-5-7-11(10)13/h4-7,12-13H,3,8-9H2,1-2H3
InChIKeyBVLDGINKWSQGKZ-UHFFFAOYSA-N
MW296.21 g/mol
LogP3.31
Rot. Bonds3

About 2-bromo-N-(2,3-dihydro-1H-inden-1-yl)-N-methylbutanamide

2-bromo-N-(2,3-dihydro-1H-inden-1-yl)-N-methylbutanamide (PubChem CID 62855378) has the molecular formula C14H18BrNO and a molecular weight of 296.21 g/mol. Its IUPAC name is 2-bromo-N-(2,3-dihydro-1H-inden-1-yl)-N-methylbutanamide.

Molecular Properties

Compound Name2-bromo-N-(2,3-dihydro-1H-inden-1-yl)-N-methylbutanamide
PubChem CID62855378
Molecular FormulaC14H18BrNO
Molecular Weight296.21 g/mol
Exact Mass295.06
IUPAC Name2-bromo-N-(2,3-dihydro-1H-inden-1-yl)-N-methylbutanamide
SMILESCCC(Br)C(=O)N(C)C1CCc2ccccc21
InChIInChI=1S/C14H18BrNO/c1-3-12(15)14(17)16(2)13-9-8-10-6-4-5-7-11(10)13/h4-7,12-13H,3,8-9H2,1-2H3
InChIKeyBVLDGINKWSQGKZ-UHFFFAOYSA-N
XLogP3.31
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.21
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(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,2-dimethyl-3-(methylamino)propanamide
CID 79195999
2-amino-N-(2,3-dihydro-1H-inden-1-yl)-N-methyl-4-methylsulfonylbutanamide
CID 43579578
(2R)-2-amino-N-(2,3-dihydro-1H-inden-1-yl)-N,3,3-trimethylbutanamide
CID 103928520
N-(2,3-dihydro-1H-inden-1-yl)-N-methyl-3,3-diphenylpropanamide
CID 42941217
4-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-4-oxobutanoic acid
CID 43578444
2-amino-N-(2,3-dihydro-1H-inden-1-yl)-2-ethyl-N-methylbutanamide
CID 79809243
3-amino-N-(2,3-dihydro-1H-inden-1-yl)-N-methylbutanamide
CID 60837017
(2S)-2-amino-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 54980190
2-(aminomethyl)-N-(2,3-dihydro-1H-inden-1-yl)-2-ethyl-N-methylbutanamide
CID 115431652
N-(2,3-dihydro-1H-inden-1-yl)-N-methylbut-2-enamide
CID 112725238
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methyl-2-(N-methylanilino)acetamide
CID 52500328

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2,3-dihydro-1H-inden-1-yl)-N-methylbutanamide?
The IUPAC name of 2-bromo-N-(2,3-dihydro-1H-inden-1-yl)-N-methylbutanamide (CID 62855378) is 2-bromo-N-(2,3-dihydro-1H-inden-1-yl)-N-methylbutanamide.
What is the SMILES notation for 2-bromo-N-(2,3-dihydro-1H-inden-1-yl)-N-methylbutanamide?
The canonical SMILES for 2-bromo-N-(2,3-dihydro-1H-inden-1-yl)-N-methylbutanamide is CCC(Br)C(=O)N(C)C1CCc2ccccc21.
What is the InChIKey of 2-bromo-N-(2,3-dihydro-1H-inden-1-yl)-N-methylbutanamide?
The InChIKey is BVLDGINKWSQGKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO/c1-3-12(15)14(17)16(2)13-9-8-10-6-4-5-7-11(10)13/h4-7,12-13H,3,8-9H2,1-2H3.
What are the key properties of 2-bromo-N-(2,3-dihydro-1H-inden-1-yl)-N-methylbutanamide?
2-bromo-N-(2,3-dihydro-1H-inden-1-yl)-N-methylbutanamide has a molecular weight of 296.21 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2,3-dihydro-1H-inden-1-yl)-N-methylbutanamide is sourced from PubChem (CID 62855378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).