N-[(3-bromocyclopentyl)methyl]-2,6-dimethoxybenzamide

C15H20BrNO3 — CID 106128032

IUPACN-[(3-bromocyclopentyl)methyl]-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)NCC1CCC(Br)C1
InChIInChI=1S/C15H20BrNO3/c1-19-12-4-3-5-13(20-2)14(12)15(18)17-9-10-6-7-11(16)8-10/h3-5,10-11H,6-9H2,1-2H3,(H,17,18)
InChIKeyKIFKKNUAHNIVKZ-UHFFFAOYSA-N
MW342.23 g/mol
LogP3.00
Rot. Bonds5

About N-[(3-bromocyclopentyl)methyl]-2,6-dimethoxybenzamide

N-[(3-bromocyclopentyl)methyl]-2,6-dimethoxybenzamide (PubChem CID 106128032) has the molecular formula C15H20BrNO3 and a molecular weight of 342.23 g/mol. Its IUPAC name is N-[(3-bromocyclopentyl)methyl]-2,6-dimethoxybenzamide.

Molecular Properties

Compound NameN-[(3-bromocyclopentyl)methyl]-2,6-dimethoxybenzamide
PubChem CID106128032
Molecular FormulaC15H20BrNO3
Molecular Weight342.23 g/mol
Exact Mass341.06
IUPAC NameN-[(3-bromocyclopentyl)methyl]-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)NCC1CCC(Br)C1
InChIInChI=1S/C15H20BrNO3/c1-19-12-4-3-5-13(20-2)14(12)15(18)17-9-10-6-7-11(16)8-10/h3-5,10-11H,6-9H2,1-2H3,(H,17,18)
InChIKeyKIFKKNUAHNIVKZ-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-[(3-bromocyclopentyl)methyl]-2-methoxybenzamide
CID 106128171
N-[(3-hydroxycyclopentyl)methyl]-2,6-dimethoxybenzamide
CID 103280759
N-[(3-hydroxycyclobutyl)methyl]-2,6-dimethoxybenzamide
CID 66004920
N-[(3-bromocyclopentyl)methyl]-3-methoxy-4-methylbenzamide
CID 106128639
2-bromo-N-(cyclopropylmethyl)-3-methoxybenzamide
CID 172648060
N-[(4-aminocyclohexyl)methyl]-2-fluoro-6-methoxybenzamide
CID 106124687
N-[(3-bromocyclopentyl)methyl]-3-methoxy-4-nitrobenzamide
CID 106128710
N-[(3-bromocyclopentyl)methyl]-2-methylbenzamide
CID 106128335
N-[(3-bromocyclopentyl)methyl]-3,4-dimethylbenzamide
CID 114147220
N-[(3-bromocyclopentyl)methyl]-2-fluoro-4-methoxybenzamide
CID 106128879
N-[(3-bromocyclopentyl)methyl]furan-2-carboxamide
CID 106128590
2-methoxy-N-[[(1R,3R)-3-[[(2-methoxybenzoyl)amino]methyl]cyclohexyl]methyl]benzamide
CID 7649857

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromocyclopentyl)methyl]-2,6-dimethoxybenzamide?
The IUPAC name of N-[(3-bromocyclopentyl)methyl]-2,6-dimethoxybenzamide (CID 106128032) is N-[(3-bromocyclopentyl)methyl]-2,6-dimethoxybenzamide.
What is the SMILES notation for N-[(3-bromocyclopentyl)methyl]-2,6-dimethoxybenzamide?
The canonical SMILES for N-[(3-bromocyclopentyl)methyl]-2,6-dimethoxybenzamide is COc1cccc(OC)c1C(=O)NCC1CCC(Br)C1.
What is the InChIKey of N-[(3-bromocyclopentyl)methyl]-2,6-dimethoxybenzamide?
The InChIKey is KIFKKNUAHNIVKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO3/c1-19-12-4-3-5-13(20-2)14(12)15(18)17-9-10-6-7-11(16)8-10/h3-5,10-11H,6-9H2,1-2H3,(H,17,18).
What are the key properties of N-[(3-bromocyclopentyl)methyl]-2,6-dimethoxybenzamide?
N-[(3-bromocyclopentyl)methyl]-2,6-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-[(3-bromocyclopentyl)methyl]-2,6-dimethoxybenzamide is sourced from PubChem (CID 106128032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).