N-(6-bromo-3,4-dihydro-2H-chromen-4-yl)-5-methoxypentanamide

C15H20BrNO3 — CID 86872157

IUPACN-(6-bromo-3,4-dihydro-2H-chromen-4-yl)-5-methoxypentanamide
SMILESCOCCCCC(=O)NC1CCOc2ccc(Br)cc21
InChIInChI=1S/C15H20BrNO3/c1-19-8-3-2-4-15(18)17-13-7-9-20-14-6-5-11(16)10-12(13)14/h5-6,10,13H,2-4,7-9H2,1H3,(H,17,18)
InChIKeyPQJQMYANUFSNJN-UHFFFAOYSA-N
MW342.23 g/mol
LogP3.21
Rot. Bonds6

About N-(6-bromo-3,4-dihydro-2H-chromen-4-yl)-5-methoxypentanamide

N-(6-bromo-3,4-dihydro-2H-chromen-4-yl)-5-methoxypentanamide (PubChem CID 86872157) has the molecular formula C15H20BrNO3 and a molecular weight of 342.23 g/mol. Its IUPAC name is N-(6-bromo-3,4-dihydro-2H-chromen-4-yl)-5-methoxypentanamide.

Molecular Properties

Compound NameN-(6-bromo-3,4-dihydro-2H-chromen-4-yl)-5-methoxypentanamide
PubChem CID86872157
Molecular FormulaC15H20BrNO3
Molecular Weight342.23 g/mol
Exact Mass341.06
IUPAC NameN-(6-bromo-3,4-dihydro-2H-chromen-4-yl)-5-methoxypentanamide
SMILESCOCCCCC(=O)NC1CCOc2ccc(Br)cc21
InChIInChI=1S/C15H20BrNO3/c1-19-8-3-2-4-15(18)17-13-7-9-20-14-6-5-11(16)10-12(13)14/h5-6,10,13H,2-4,7-9H2,1H3,(H,17,18)
InChIKeyPQJQMYANUFSNJN-UHFFFAOYSA-N
XLogP3.21
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.23
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(4S)-6-bromo-3,4-dihydro-2H-chromen-4-yl]-2-chloroacetamide
CID 167888581
(6-bromo-3,4-dihydro-2H-chromen-4-yl)carbamic acid
CID 18448605
4-(4-methoxyphenoxy)-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)butanamide
CID 108757532
6-bromo-N-(4-methoxybutan-2-yl)-3,4-dihydro-2H-chromen-4-amine
CID 64602781
6-bromo-N-(1-methoxypropan-2-yl)-3,4-dihydro-2H-chromen-4-amine
CID 43758418
N-(6-bromo-3,4-dihydro-2H-chromen-4-yl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 62844836
3-[(6-bromo-3,4-dihydro-2H-chromen-4-yl)amino]-N,N-dimethylpropanamide
CID 54935296
N-(6-bromo-3,4-dihydro-2H-chromen-4-yl)-2-(dimethylamino)pyridine-4-carboxamide
CID 60568914
N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-4-phenoxybutanamide
CID 108764801
(2S)-N-[(4R)-6-bromo-3,4-dihydro-2H-chromen-4-yl]-2-methylsulfonylpropanamide
CID 94488724
4-(2-chlorophenoxy)-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)butanamide
CID 108757527
2-(5-bromo-2-methoxyanilino)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide
CID 86826326

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-3,4-dihydro-2H-chromen-4-yl)-5-methoxypentanamide?
The IUPAC name of N-(6-bromo-3,4-dihydro-2H-chromen-4-yl)-5-methoxypentanamide (CID 86872157) is N-(6-bromo-3,4-dihydro-2H-chromen-4-yl)-5-methoxypentanamide.
What is the SMILES notation for N-(6-bromo-3,4-dihydro-2H-chromen-4-yl)-5-methoxypentanamide?
The canonical SMILES for N-(6-bromo-3,4-dihydro-2H-chromen-4-yl)-5-methoxypentanamide is COCCCCC(=O)NC1CCOc2ccc(Br)cc21.
What is the InChIKey of N-(6-bromo-3,4-dihydro-2H-chromen-4-yl)-5-methoxypentanamide?
The InChIKey is PQJQMYANUFSNJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO3/c1-19-8-3-2-4-15(18)17-13-7-9-20-14-6-5-11(16)10-12(13)14/h5-6,10,13H,2-4,7-9H2,1H3,(H,17,18).
What are the key properties of N-(6-bromo-3,4-dihydro-2H-chromen-4-yl)-5-methoxypentanamide?
N-(6-bromo-3,4-dihydro-2H-chromen-4-yl)-5-methoxypentanamide has a molecular weight of 342.23 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-3,4-dihydro-2H-chromen-4-yl)-5-methoxypentanamide is sourced from PubChem (CID 86872157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).