N-(4-bromo-2,3-dihydro-1H-inden-1-yl)-2-(methylamino)acetamide

C12H15BrN2O — CID 119773520

IUPACN-(4-bromo-2,3-dihydro-1H-inden-1-yl)-2-(methylamino)acetamide
SMILESCNCC(=O)NC1CCc2c(Br)cccc21
InChIInChI=1S/C12H15BrN2O/c1-14-7-12(16)15-11-6-5-8-9(11)3-2-4-10(8)13/h2-4,11,14H,5-7H2,1H3,(H,15,16)
InChIKeyVITWIPWOEFQRHG-UHFFFAOYSA-N
MW283.17 g/mol
LogP1.77
Rot. Bonds3

About N-(4-bromo-2,3-dihydro-1H-inden-1-yl)-2-(methylamino)acetamide

N-(4-bromo-2,3-dihydro-1H-inden-1-yl)-2-(methylamino)acetamide (PubChem CID 119773520) has the molecular formula C12H15BrN2O and a molecular weight of 283.17 g/mol. Its IUPAC name is N-(4-bromo-2,3-dihydro-1H-inden-1-yl)-2-(methylamino)acetamide.

Molecular Properties

Compound NameN-(4-bromo-2,3-dihydro-1H-inden-1-yl)-2-(methylamino)acetamide
PubChem CID119773520
Molecular FormulaC12H15BrN2O
Molecular Weight283.17 g/mol
Exact Mass282.04
IUPAC NameN-(4-bromo-2,3-dihydro-1H-inden-1-yl)-2-(methylamino)acetamide
SMILESCNCC(=O)NC1CCc2c(Br)cccc21
InChIInChI=1S/C12H15BrN2O/c1-14-7-12(16)15-11-6-5-8-9(11)3-2-4-10(8)13/h2-4,11,14H,5-7H2,1H3,(H,15,16)
InChIKeyVITWIPWOEFQRHG-UHFFFAOYSA-N
XLogP1.77
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.17
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-ethyl-2,3-dihydro-1H-inden-1-amine
CID 63272138
methyl 3-[(4-bromo-2,3-dihydro-1H-inden-1-yl)amino]propanoate
CID 103917115
2-[(4-bromo-2,3-dihydro-1H-inden-1-yl)amino]-N-cyclopropylpropanamide
CID 103721645
2-amino-N-(4-bromo-2,3-dihydro-1H-inden-1-yl)-2-phenylpropanamide
CID 120591629
2-[(4-bromo-2,3-dihydro-1H-inden-1-yl)amino]-2-methylpropan-1-ol
CID 115927474
N-[(2S)-1-[[(1R)-4-bromo-2,3-dihydro-1H-inden-1-yl]amino]-1-oxopropan-2-yl]cyclobutanecarboxamide
CID 94728342
3-[(4-bromo-2,3-dihydro-1H-inden-1-yl)amino]-N-methylbenzamide
CID 103846407
N-(4-bromo-2,3-dihydro-1H-inden-1-yl)piperidine-2-carboxamide;hydrochloride
CID 119317722
N-(4-bromo-2,3-dihydro-1H-inden-1-yl)piperidine-3-carboxamide
CID 119317747
1-(4-bromo-2,3-dihydro-1H-inden-1-yl)-3-(pyridin-3-ylmethyl)urea
CID 56824357
N-(4-bromo-2,3-dihydro-1H-inden-1-yl)-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119773537
N-[2-[[(1S)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl]-2-phenylacetamide
CID 95146524

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,3-dihydro-1H-inden-1-yl)-2-(methylamino)acetamide?
The IUPAC name of N-(4-bromo-2,3-dihydro-1H-inden-1-yl)-2-(methylamino)acetamide (CID 119773520) is N-(4-bromo-2,3-dihydro-1H-inden-1-yl)-2-(methylamino)acetamide.
What is the SMILES notation for N-(4-bromo-2,3-dihydro-1H-inden-1-yl)-2-(methylamino)acetamide?
The canonical SMILES for N-(4-bromo-2,3-dihydro-1H-inden-1-yl)-2-(methylamino)acetamide is CNCC(=O)NC1CCc2c(Br)cccc21.
What is the InChIKey of N-(4-bromo-2,3-dihydro-1H-inden-1-yl)-2-(methylamino)acetamide?
The InChIKey is VITWIPWOEFQRHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O/c1-14-7-12(16)15-11-6-5-8-9(11)3-2-4-10(8)13/h2-4,11,14H,5-7H2,1H3,(H,15,16).
What are the key properties of N-(4-bromo-2,3-dihydro-1H-inden-1-yl)-2-(methylamino)acetamide?
N-(4-bromo-2,3-dihydro-1H-inden-1-yl)-2-(methylamino)acetamide has a molecular weight of 283.17 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,3-dihydro-1H-inden-1-yl)-2-(methylamino)acetamide is sourced from PubChem (CID 119773520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).