N-(5-bromopentan-2-yl)-2,3-dihydro-1H-indene-5-carboxamide

C15H20BrNO — CID 114316446

IUPACN-(5-bromopentan-2-yl)-2,3-dihydro-1H-indene-5-carboxamide
SMILESCC(CCCBr)NC(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C15H20BrNO/c1-11(4-3-9-16)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)
InChIKeyHBVSDEHWGIQHMH-UHFFFAOYSA-N
MW310.24 g/mol
LogP3.47
Rot. Bonds5

About N-(5-bromopentan-2-yl)-2,3-dihydro-1H-indene-5-carboxamide

N-(5-bromopentan-2-yl)-2,3-dihydro-1H-indene-5-carboxamide (PubChem CID 114316446) has the molecular formula C15H20BrNO and a molecular weight of 310.24 g/mol. Its IUPAC name is N-(5-bromopentan-2-yl)-2,3-dihydro-1H-indene-5-carboxamide.

Molecular Properties

Compound NameN-(5-bromopentan-2-yl)-2,3-dihydro-1H-indene-5-carboxamide
PubChem CID114316446
Molecular FormulaC15H20BrNO
Molecular Weight310.24 g/mol
Exact Mass309.07
IUPAC NameN-(5-bromopentan-2-yl)-2,3-dihydro-1H-indene-5-carboxamide
SMILESCC(CCCBr)NC(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C15H20BrNO/c1-11(4-3-9-16)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)
InChIKeyHBVSDEHWGIQHMH-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': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-pent-4-yn-2-yl-2,3-dihydro-1H-indene-5-carboxamide
CID 115661886
N-[(2S)-butan-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 95358601
3-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)butanoic acid
CID 43240739
N-(1-bromobutan-2-yl)-2,3-dihydro-1H-indene-5-carboxamide
CID 114307626
N-[(2R)-4-phenylbutan-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 100704780
N-(4-bromopentyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 106130885
N-(5-bromopentan-2-yl)-4-chlorobenzamide
CID 114316555
N-(1-aminohexan-2-yl)-2,3-dihydro-1H-indene-5-carboxamide
CID 80697948
2-(2,3-dihydro-1H-indene-5-carbonylamino)-3-methylpentanoic acid
CID 43176189
N-(6-methylheptan-2-yl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 61252678
N-[2-oxo-2-(propan-2-ylamino)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 9300971
N-(5-bromopentan-2-yl)-4-cyanobenzamide
CID 114316388

Frequently Asked Questions

What is the IUPAC name of N-(5-bromopentan-2-yl)-2,3-dihydro-1H-indene-5-carboxamide?
The IUPAC name of N-(5-bromopentan-2-yl)-2,3-dihydro-1H-indene-5-carboxamide (CID 114316446) is N-(5-bromopentan-2-yl)-2,3-dihydro-1H-indene-5-carboxamide.
What is the SMILES notation for N-(5-bromopentan-2-yl)-2,3-dihydro-1H-indene-5-carboxamide?
The canonical SMILES for N-(5-bromopentan-2-yl)-2,3-dihydro-1H-indene-5-carboxamide is CC(CCCBr)NC(=O)c1ccc2c(c1)CCC2.
What is the InChIKey of N-(5-bromopentan-2-yl)-2,3-dihydro-1H-indene-5-carboxamide?
The InChIKey is HBVSDEHWGIQHMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO/c1-11(4-3-9-16)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-(5-bromopentan-2-yl)-2,3-dihydro-1H-indene-5-carboxamide?
N-(5-bromopentan-2-yl)-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-(5-bromopentan-2-yl)-2,3-dihydro-1H-indene-5-carboxamide is sourced from PubChem (CID 114316446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).