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

C15H20BrNO — CID 114312813

IUPACN-(2-bromo-2,3-dihydro-1H-inden-1-yl)-4-methylpentanamide
SMILESCC(C)CCC(=O)NC1c2ccccc2CC1Br
InChIInChI=1S/C15H20BrNO/c1-10(2)7-8-14(18)17-15-12-6-4-3-5-11(12)9-13(15)16/h3-6,10,13,15H,7-9H2,1-2H3,(H,17,18)
InChIKeyVWSRMNKWLYQLEA-UHFFFAOYSA-N
MW310.24 g/mol
LogP3.60
Rot. Bonds4

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

N-(2-bromo-2,3-dihydro-1H-inden-1-yl)-4-methylpentanamide (PubChem CID 114312813) has the molecular formula C15H20BrNO and a molecular weight of 310.24 g/mol. Its IUPAC name is N-(2-bromo-2,3-dihydro-1H-inden-1-yl)-4-methylpentanamide.

Molecular Properties

Compound NameN-(2-bromo-2,3-dihydro-1H-inden-1-yl)-4-methylpentanamide
PubChem CID114312813
Molecular FormulaC15H20BrNO
Molecular Weight310.24 g/mol
Exact Mass309.07
IUPAC NameN-(2-bromo-2,3-dihydro-1H-inden-1-yl)-4-methylpentanamide
SMILESCC(C)CCC(=O)NC1c2ccccc2CC1Br
InChIInChI=1S/C15H20BrNO/c1-10(2)7-8-14(18)17-15-12-6-4-3-5-11(12)9-13(15)16/h3-6,10,13,15H,7-9H2,1-2H3,(H,17,18)
InChIKeyVWSRMNKWLYQLEA-UHFFFAOYSA-N
XLogP3.60
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.24
LogP ≤ 53.60
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

N-(2-bromo-2,3-dihydro-1H-inden-1-yl)-3-methylsulfanylpropanamide
CID 114312848
N-(2-bromo-2,3-dihydro-1H-inden-1-yl)-2-methylsulfonylpropanamide
CID 114983105
5-amino-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-methylpentanamide
CID 107221816
N-(2-bromo-2,3-dihydro-1H-inden-1-yl)-2-cyclohexylacetamide
CID 114312904
5-bromo-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pentanamide
CID 107910801
1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(3-methylbutyl)urea
CID 110894408
4-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-4-oxobutanoic acid
CID 23881282
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propanamide
CID 15432723
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-propan-2-yloxyacetamide
CID 103862985
N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-methylsulfonylpropanamide
CID 61366824
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]octanamide
CID 103816825
N-(2-bromo-2,3-dihydro-1H-inden-1-yl)-5-ethylthiophene-2-carboxamide
CID 114312817

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-2,3-dihydro-1H-inden-1-yl)-4-methylpentanamide?
The IUPAC name of N-(2-bromo-2,3-dihydro-1H-inden-1-yl)-4-methylpentanamide (CID 114312813) is N-(2-bromo-2,3-dihydro-1H-inden-1-yl)-4-methylpentanamide.
What is the SMILES notation for N-(2-bromo-2,3-dihydro-1H-inden-1-yl)-4-methylpentanamide?
The canonical SMILES for N-(2-bromo-2,3-dihydro-1H-inden-1-yl)-4-methylpentanamide is CC(C)CCC(=O)NC1c2ccccc2CC1Br.
What is the InChIKey of N-(2-bromo-2,3-dihydro-1H-inden-1-yl)-4-methylpentanamide?
The InChIKey is VWSRMNKWLYQLEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO/c1-10(2)7-8-14(18)17-15-12-6-4-3-5-11(12)9-13(15)16/h3-6,10,13,15H,7-9H2,1-2H3,(H,17,18).
What are the key properties of N-(2-bromo-2,3-dihydro-1H-inden-1-yl)-4-methylpentanamide?
N-(2-bromo-2,3-dihydro-1H-inden-1-yl)-4-methylpentanamide has a molecular weight of 310.24 g/mol, XLogP of 3.60, 4 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)-4-methylpentanamide is sourced from PubChem (CID 114312813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).