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

C17H22BrNO — CID 114312904

IUPACN-(2-bromo-2,3-dihydro-1H-inden-1-yl)-2-cyclohexylacetamide
SMILESO=C(CC1CCCCC1)NC1c2ccccc2CC1Br
InChIInChI=1S/C17H22BrNO/c18-15-11-13-8-4-5-9-14(13)17(15)19-16(20)10-12-6-2-1-3-7-12/h4-5,8-9,12,15,17H,1-3,6-7,10-11H2,(H,19,20)
InChIKeyBHYRUEQHWTYELU-UHFFFAOYSA-N
MW336.27 g/mol
LogP4.13
Rot. Bonds3

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

N-(2-bromo-2,3-dihydro-1H-inden-1-yl)-2-cyclohexylacetamide (PubChem CID 114312904) has the molecular formula C17H22BrNO and a molecular weight of 336.27 g/mol. Its IUPAC name is N-(2-bromo-2,3-dihydro-1H-inden-1-yl)-2-cyclohexylacetamide.

Molecular Properties

Compound NameN-(2-bromo-2,3-dihydro-1H-inden-1-yl)-2-cyclohexylacetamide
PubChem CID114312904
Molecular FormulaC17H22BrNO
Molecular Weight336.27 g/mol
Exact Mass335.09
IUPAC NameN-(2-bromo-2,3-dihydro-1H-inden-1-yl)-2-cyclohexylacetamide
SMILESO=C(CC1CCCCC1)NC1c2ccccc2CC1Br
InChIInChI=1S/C17H22BrNO/c18-15-11-13-8-4-5-9-14(13)17(15)19-16(20)10-12-6-2-1-3-7-12/h4-5,8-9,12,15,17H,1-3,6-7,10-11H2,(H,19,20)
InChIKeyBHYRUEQHWTYELU-UHFFFAOYSA-N
XLogP4.13
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.27
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-cyclobutyl-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)acetamide
CID 111696386
N-(2-amino-2,3-dihydro-1H-inden-1-yl)-2-cyclopropylacetamide
CID 63754177
N-(2-bromo-2,3-dihydro-1H-inden-1-yl)-3-methylsulfanylpropanamide
CID 114312848
N-(2-bromo-2,3-dihydro-1H-inden-1-yl)-4-methylpentanamide
CID 114312813
N-(2-bromo-2,3-dihydro-1H-inden-1-yl)furan-2-carboxamide
CID 114312884
5-bromo-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pentanamide
CID 107910801
5-bromo-N-(2-bromo-2,3-dihydro-1H-inden-1-yl)furan-2-carboxamide
CID 114312742
N-(2-bromo-2,3-dihydro-1H-inden-1-yl)-2-methylsulfonylpropanamide
CID 114983105
N-(2-bromo-2,3-dihydro-1H-inden-1-yl)-3-iodobenzamide
CID 114312900
2-chloro-N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]acetamide
CID 70272915
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propanamide
CID 15432723
N-(2-bromo-2,3-dihydro-1H-inden-1-yl)-2-methylthiolane-2-carboxamide
CID 114312888

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-2,3-dihydro-1H-inden-1-yl)-2-cyclohexylacetamide?
The IUPAC name of N-(2-bromo-2,3-dihydro-1H-inden-1-yl)-2-cyclohexylacetamide (CID 114312904) is N-(2-bromo-2,3-dihydro-1H-inden-1-yl)-2-cyclohexylacetamide.
What is the SMILES notation for N-(2-bromo-2,3-dihydro-1H-inden-1-yl)-2-cyclohexylacetamide?
The canonical SMILES for N-(2-bromo-2,3-dihydro-1H-inden-1-yl)-2-cyclohexylacetamide is O=C(CC1CCCCC1)NC1c2ccccc2CC1Br.
What is the InChIKey of N-(2-bromo-2,3-dihydro-1H-inden-1-yl)-2-cyclohexylacetamide?
The InChIKey is BHYRUEQHWTYELU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrNO/c18-15-11-13-8-4-5-9-14(13)17(15)19-16(20)10-12-6-2-1-3-7-12/h4-5,8-9,12,15,17H,1-3,6-7,10-11H2,(H,19,20).
What are the key properties of N-(2-bromo-2,3-dihydro-1H-inden-1-yl)-2-cyclohexylacetamide?
N-(2-bromo-2,3-dihydro-1H-inden-1-yl)-2-cyclohexylacetamide has a molecular weight of 336.27 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-2,3-dihydro-1H-inden-1-yl)-2-cyclohexylacetamide is sourced from PubChem (CID 114312904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).