N-[(2-bromocyclopentyl)methyl]-2,3-dimethoxybenzamide

C15H20BrNO3 — CID 114313919

IUPACN-[(2-bromocyclopentyl)methyl]-2,3-dimethoxybenzamide
SMILESCOc1cccc(C(=O)NCC2CCCC2Br)c1OC
InChIInChI=1S/C15H20BrNO3/c1-19-13-8-4-6-11(14(13)20-2)15(18)17-9-10-5-3-7-12(10)16/h4,6,8,10,12H,3,5,7,9H2,1-2H3,(H,17,18)
InChIKeyWGVYTCAEBQQDTN-UHFFFAOYSA-N
MW342.23 g/mol
LogP3.00
Rot. Bonds5

About N-[(2-bromocyclopentyl)methyl]-2,3-dimethoxybenzamide

N-[(2-bromocyclopentyl)methyl]-2,3-dimethoxybenzamide (PubChem CID 114313919) has the molecular formula C15H20BrNO3 and a molecular weight of 342.23 g/mol. Its IUPAC name is N-[(2-bromocyclopentyl)methyl]-2,3-dimethoxybenzamide.

Molecular Properties

Compound NameN-[(2-bromocyclopentyl)methyl]-2,3-dimethoxybenzamide
PubChem CID114313919
Molecular FormulaC15H20BrNO3
Molecular Weight342.23 g/mol
Exact Mass341.06
IUPAC NameN-[(2-bromocyclopentyl)methyl]-2,3-dimethoxybenzamide
SMILESCOc1cccc(C(=O)NCC2CCCC2Br)c1OC
InChIInChI=1S/C15H20BrNO3/c1-19-13-8-4-6-11(14(13)20-2)15(18)17-9-10-5-3-7-12(10)16/h4,6,8,10,12H,3,5,7,9H2,1-2H3,(H,17,18)
InChIKeyWGVYTCAEBQQDTN-UHFFFAOYSA-N
XLogP3.00
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.23
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-bromocyclopentyl)methyl]-2-ethoxybenzamide
CID 113275455
N-[(2-bromocyclopentyl)methyl]-5-chloro-2-methoxybenzamide
CID 113275434
2,3-dimethoxy-N-(oxolan-2-ylmethyl)benzamide
CID 4781408
2,3-dimethoxy-N-[(4-methylpiperidin-3-yl)methyl]benzamide
CID 114955616
2-bromo-N-[(2-bromocyclohexyl)methyl]-3-methylbenzamide
CID 114024074
N-[(2-bromocyclopentyl)methyl]-2-hydroxy-4-methoxybenzamide
CID 114313727
N-[[1-(cyclohexylmethyl)piperidin-1-ium-4-yl]methyl]-2,3-dimethoxybenzamide
CID 7451565
N-[(1-cyclohexylpiperidin-3-yl)methyl]-2,3-dimethoxybenzamide
CID 23723921
N-[(2-cyclopentyloxyphenyl)methyl]-2,3-dimethoxybenzamide
CID 55810457
N-[(2-bromocyclohexyl)methyl]quinoxaline-5-carboxamide
CID 104615763
N-[(2-bromocyclohexyl)methyl]-2-chloro-3-fluorobenzamide
CID 114312152
2-bromo-N-(cyclopropylmethyl)-3-methoxybenzamide
CID 172648060

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromocyclopentyl)methyl]-2,3-dimethoxybenzamide?
The IUPAC name of N-[(2-bromocyclopentyl)methyl]-2,3-dimethoxybenzamide (CID 114313919) is N-[(2-bromocyclopentyl)methyl]-2,3-dimethoxybenzamide.
What is the SMILES notation for N-[(2-bromocyclopentyl)methyl]-2,3-dimethoxybenzamide?
The canonical SMILES for N-[(2-bromocyclopentyl)methyl]-2,3-dimethoxybenzamide is COc1cccc(C(=O)NCC2CCCC2Br)c1OC.
What is the InChIKey of N-[(2-bromocyclopentyl)methyl]-2,3-dimethoxybenzamide?
The InChIKey is WGVYTCAEBQQDTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO3/c1-19-13-8-4-6-11(14(13)20-2)15(18)17-9-10-5-3-7-12(10)16/h4,6,8,10,12H,3,5,7,9H2,1-2H3,(H,17,18).
What are the key properties of N-[(2-bromocyclopentyl)methyl]-2,3-dimethoxybenzamide?
N-[(2-bromocyclopentyl)methyl]-2,3-dimethoxybenzamide has a molecular weight of 342.23 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromocyclopentyl)methyl]-2,3-dimethoxybenzamide is sourced from PubChem (CID 114313919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).