N-(2-amino-1-cyclopentylethyl)-3-bromo-4-methoxybenzamide

C15H21BrN2O2 — CID 106737408

IUPACN-(2-amino-1-cyclopentylethyl)-3-bromo-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC(CN)C2CCCC2)cc1Br
InChIInChI=1S/C15H21BrN2O2/c1-20-14-7-6-11(8-12(14)16)15(19)18-13(9-17)10-4-2-3-5-10/h6-8,10,13H,2-5,9,17H2,1H3,(H,18,19)
InChIKeyCEAOECVHWDHDBB-UHFFFAOYSA-N
MW341.25 g/mol
LogP2.70
Rot. Bonds5

About N-(2-amino-1-cyclopentylethyl)-3-bromo-4-methoxybenzamide

N-(2-amino-1-cyclopentylethyl)-3-bromo-4-methoxybenzamide (PubChem CID 106737408) has the molecular formula C15H21BrN2O2 and a molecular weight of 341.25 g/mol. Its IUPAC name is N-(2-amino-1-cyclopentylethyl)-3-bromo-4-methoxybenzamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopentylethyl)-3-bromo-4-methoxybenzamide
PubChem CID106737408
Molecular FormulaC15H21BrN2O2
Molecular Weight341.25 g/mol
Exact Mass340.08
IUPAC NameN-(2-amino-1-cyclopentylethyl)-3-bromo-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC(CN)C2CCCC2)cc1Br
InChIInChI=1S/C15H21BrN2O2/c1-20-14-7-6-11(8-12(14)16)15(19)18-13(9-17)10-4-2-3-5-10/h6-8,10,13H,2-5,9,17H2,1H3,(H,18,19)
InChIKeyCEAOECVHWDHDBB-UHFFFAOYSA-N
XLogP2.70
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.25
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-1-cyclohexylethyl)-3-methoxy-4-methylbenzamide
CID 81485984
3-bromo-N-(1-cyclohexylethyl)-4-methoxybenzamide
CID 62407763
N-(2-amino-1-cyclohexylethyl)-4-methoxy-3-nitrobenzamide;hydrochloride
CID 119591436
N-(2-amino-1-cyclohexylethyl)-3,5-dimethoxy-4-methylbenzamide;hydrochloride
CID 119592013
N-(2-amino-1-cyclohexylethyl)-3-methoxybenzamide;hydrochloride
CID 119591989
N-(2-amino-1-cyclopropylethyl)-3-bromo-4-chlorobenzamide
CID 114024784
N-(2-amino-1-cyclopropylethyl)-3-methoxy-4-[2-(methylamino)-2-oxoethoxy]benzamide;hydrochloride
CID 119613742
N-(2-amino-1-cyclopropylethyl)-3-bromo-5-methoxy-4-propoxybenzamide;hydrochloride
CID 119614778
N-(2-amino-1-cyclohexylethyl)-3,5-dibromobenzamide
CID 107973523
4-amino-N-(1-cyclohexylpropyl)-3-methoxybenzamide
CID 104782852
N-(2-amino-1-cyclopentylethyl)-4-chloro-2-methoxybenzamide
CID 106737554
N-(2-amino-1-cyclohexylethyl)-3,4-dichlorobenzamide
CID 81486899

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopentylethyl)-3-bromo-4-methoxybenzamide?
The IUPAC name of N-(2-amino-1-cyclopentylethyl)-3-bromo-4-methoxybenzamide (CID 106737408) is N-(2-amino-1-cyclopentylethyl)-3-bromo-4-methoxybenzamide.
What is the SMILES notation for N-(2-amino-1-cyclopentylethyl)-3-bromo-4-methoxybenzamide?
The canonical SMILES for N-(2-amino-1-cyclopentylethyl)-3-bromo-4-methoxybenzamide is COc1ccc(C(=O)NC(CN)C2CCCC2)cc1Br.
What is the InChIKey of N-(2-amino-1-cyclopentylethyl)-3-bromo-4-methoxybenzamide?
The InChIKey is CEAOECVHWDHDBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O2/c1-20-14-7-6-11(8-12(14)16)15(19)18-13(9-17)10-4-2-3-5-10/h6-8,10,13H,2-5,9,17H2,1H3,(H,18,19).
What are the key properties of N-(2-amino-1-cyclopentylethyl)-3-bromo-4-methoxybenzamide?
N-(2-amino-1-cyclopentylethyl)-3-bromo-4-methoxybenzamide has a molecular weight of 341.25 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopentylethyl)-3-bromo-4-methoxybenzamide is sourced from PubChem (CID 106737408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).