N-(4-bromopentyl)-2,3-dihydro-1H-indene-5-carboxamide

C15H20BrNO — CID 106130885

IUPACN-(4-bromopentyl)-2,3-dihydro-1H-indene-5-carboxamide
SMILESCC(Br)CCCNC(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C15H20BrNO/c1-11(16)4-3-9-17-15(18)14-8-7-12-5-2-6-13(12)10-14/h7-8,10-11H,2-6,9H2,1H3,(H,17,18)
InChIKeyCHMCTUHDIBLLSW-UHFFFAOYSA-N
MW310.24 g/mol
LogP3.47
Rot. Bonds5

About N-(4-bromopentyl)-2,3-dihydro-1H-indene-5-carboxamide

N-(4-bromopentyl)-2,3-dihydro-1H-indene-5-carboxamide (PubChem CID 106130885) has the molecular formula C15H20BrNO and a molecular weight of 310.24 g/mol. Its IUPAC name is N-(4-bromopentyl)-2,3-dihydro-1H-indene-5-carboxamide.

Molecular Properties

Compound NameN-(4-bromopentyl)-2,3-dihydro-1H-indene-5-carboxamide
PubChem CID106130885
Molecular FormulaC15H20BrNO
Molecular Weight310.24 g/mol
Exact Mass309.07
IUPAC NameN-(4-bromopentyl)-2,3-dihydro-1H-indene-5-carboxamide
SMILESCC(Br)CCCNC(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C15H20BrNO/c1-11(16)4-3-9-17-15(18)14-8-7-12-5-2-6-13(12)10-14/h7-8,10-11H,2-6,9H2,1H3,(H,17,18)
InChIKeyCHMCTUHDIBLLSW-UHFFFAOYSA-N
XLogP3.47
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.24
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(5-hydroxy-4-methylpentyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 103861739
N-(3-ethoxypropyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 95903042
N-(4-bromopentyl)-1,3-benzodioxole-5-carboxamide
CID 114147566
4-bromo-N-(4-bromopentyl)-3-chlorobenzamide
CID 106130615
N-(4-amino-4-sulfanylidenebutyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 55102214
N-(5-bromopentan-2-yl)-2,3-dihydro-1H-indene-5-carboxamide
CID 114316446
3-(2,3-dihydro-1H-indene-5-carbonylamino)propanoic acid
CID 18071901
3-(2,3-dihydro-1H-indene-5-carbonylamino)-2-methylpropanoic acid
CID 55105106
N-(4-bromopentyl)-2-oxo-1H-pyridine-4-carboxamide
CID 106130813
N-[2-oxo-2-(propan-2-ylamino)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 9300971
N-(2-methylsulfonylethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 60545524
N-(3-pyrrolidin-1-ylpropyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 95166108

Frequently Asked Questions

What is the IUPAC name of N-(4-bromopentyl)-2,3-dihydro-1H-indene-5-carboxamide?
The IUPAC name of N-(4-bromopentyl)-2,3-dihydro-1H-indene-5-carboxamide (CID 106130885) is N-(4-bromopentyl)-2,3-dihydro-1H-indene-5-carboxamide.
What is the SMILES notation for N-(4-bromopentyl)-2,3-dihydro-1H-indene-5-carboxamide?
The canonical SMILES for N-(4-bromopentyl)-2,3-dihydro-1H-indene-5-carboxamide is CC(Br)CCCNC(=O)c1ccc2c(c1)CCC2.
What is the InChIKey of N-(4-bromopentyl)-2,3-dihydro-1H-indene-5-carboxamide?
The InChIKey is CHMCTUHDIBLLSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO/c1-11(16)4-3-9-17-15(18)14-8-7-12-5-2-6-13(12)10-14/h7-8,10-11H,2-6,9H2,1H3,(H,17,18).
What are the key properties of N-(4-bromopentyl)-2,3-dihydro-1H-indene-5-carboxamide?
N-(4-bromopentyl)-2,3-dihydro-1H-indene-5-carboxamide has a molecular weight of 310.24 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromopentyl)-2,3-dihydro-1H-indene-5-carboxamide is sourced from PubChem (CID 106130885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).