N-[2-(5-bromo-2-methoxyphenyl)ethyl]cyclopentanecarboxamide

C15H20BrNO2 — CID 110788021

IUPACN-[2-(5-bromo-2-methoxyphenyl)ethyl]cyclopentanecarboxamide
SMILESCOc1ccc(Br)cc1CCNC(=O)C1CCCC1
InChIInChI=1S/C15H20BrNO2/c1-19-14-7-6-13(16)10-12(14)8-9-17-15(18)11-4-2-3-5-11/h6-7,10-11H,2-5,8-9H2,1H3,(H,17,18)
InChIKeyAIOYZXHXVHGAQS-UHFFFAOYSA-N
MW326.23 g/mol
LogP3.31
Rot. Bonds5

About N-[2-(5-bromo-2-methoxyphenyl)ethyl]cyclopentanecarboxamide

N-[2-(5-bromo-2-methoxyphenyl)ethyl]cyclopentanecarboxamide (PubChem CID 110788021) has the molecular formula C15H20BrNO2 and a molecular weight of 326.23 g/mol. Its IUPAC name is N-[2-(5-bromo-2-methoxyphenyl)ethyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[2-(5-bromo-2-methoxyphenyl)ethyl]cyclopentanecarboxamide
PubChem CID110788021
Molecular FormulaC15H20BrNO2
Molecular Weight326.23 g/mol
Exact Mass325.07
IUPAC NameN-[2-(5-bromo-2-methoxyphenyl)ethyl]cyclopentanecarboxamide
SMILESCOc1ccc(Br)cc1CCNC(=O)C1CCCC1
InChIInChI=1S/C15H20BrNO2/c1-19-14-7-6-13(16)10-12(14)8-9-17-15(18)11-4-2-3-5-11/h6-7,10-11H,2-5,8-9H2,1H3,(H,17,18)
InChIKeyAIOYZXHXVHGAQS-UHFFFAOYSA-N
XLogP3.31
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.23
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(5-bromo-2-methoxyphenyl)ethyl]-2-methylpropanamide
CID 110788017
methyl 2-[2-(5-bromo-2-methoxyphenyl)ethylamino]-2-oxoacetate
CID 115142532
(1S)-N-[2-(2,5-dimethoxyphenyl)ethyl]cyclohex-3-ene-1-carboxamide
CID 94484941
N-[2-(5-bromo-2-methoxyphenyl)ethyl]-2-(methylamino)acetamide
CID 115152018
N-[2-(2,5-dimethoxyphenyl)ethyl]pyrrolidine-3-carboxamide
CID 119705639
N-[2-(5-chloro-2-methoxy-4-methylphenyl)ethyl]cyclobutanecarboxamide
CID 110788802
N-(5-bromo-2-methoxyphenyl)cyclooctanecarboxamide
CID 65018183
N-(2-aminoethyl)-1-[2-(5-bromo-2-methoxyphenyl)acetyl]piperidine-3-carboxamide;hydrochloride
CID 119480672
4-amino-N-[2-(5-bromo-2-methylphenyl)ethyl]cyclohexane-1-carboxamide
CID 115150582
(3R)-1-acetyl-N-[(5-bromo-2-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 52512867
N-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]cyclohexanecarboxamide
CID 3901143
N-[(3-ethyl-4-methoxyphenyl)methyl]cyclopentanecarboxamide
CID 110781731

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-bromo-2-methoxyphenyl)ethyl]cyclopentanecarboxamide?
The IUPAC name of N-[2-(5-bromo-2-methoxyphenyl)ethyl]cyclopentanecarboxamide (CID 110788021) is N-[2-(5-bromo-2-methoxyphenyl)ethyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[2-(5-bromo-2-methoxyphenyl)ethyl]cyclopentanecarboxamide?
The canonical SMILES for N-[2-(5-bromo-2-methoxyphenyl)ethyl]cyclopentanecarboxamide is COc1ccc(Br)cc1CCNC(=O)C1CCCC1.
What is the InChIKey of N-[2-(5-bromo-2-methoxyphenyl)ethyl]cyclopentanecarboxamide?
The InChIKey is AIOYZXHXVHGAQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO2/c1-19-14-7-6-13(16)10-12(14)8-9-17-15(18)11-4-2-3-5-11/h6-7,10-11H,2-5,8-9H2,1H3,(H,17,18).
What are the key properties of N-[2-(5-bromo-2-methoxyphenyl)ethyl]cyclopentanecarboxamide?
N-[2-(5-bromo-2-methoxyphenyl)ethyl]cyclopentanecarboxamide has a molecular weight of 326.23 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-bromo-2-methoxyphenyl)ethyl]cyclopentanecarboxamide is sourced from PubChem (CID 110788021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).