N-(3-bromo-4-methoxyphenyl)cyclopentanecarboxamide

C13H16BrNO2 — CID 110776805

IUPACN-(3-bromo-4-methoxyphenyl)cyclopentanecarboxamide
SMILESCOc1ccc(NC(=O)C2CCCC2)cc1Br
InChIInChI=1S/C13H16BrNO2/c1-17-12-7-6-10(8-11(12)14)15-13(16)9-4-2-3-5-9/h6-9H,2-5H2,1H3,(H,15,16)
InChIKeyNUKBPBKHEVEACU-UHFFFAOYSA-N
MW298.18 g/mol
LogP3.59
Rot. Bonds3

About N-(3-bromo-4-methoxyphenyl)cyclopentanecarboxamide

N-(3-bromo-4-methoxyphenyl)cyclopentanecarboxamide (PubChem CID 110776805) has the molecular formula C13H16BrNO2 and a molecular weight of 298.18 g/mol. Its IUPAC name is N-(3-bromo-4-methoxyphenyl)cyclopentanecarboxamide.

Molecular Properties

Compound NameN-(3-bromo-4-methoxyphenyl)cyclopentanecarboxamide
PubChem CID110776805
Molecular FormulaC13H16BrNO2
Molecular Weight298.18 g/mol
Exact Mass297.04
IUPAC NameN-(3-bromo-4-methoxyphenyl)cyclopentanecarboxamide
SMILESCOc1ccc(NC(=O)C2CCCC2)cc1Br
InChIInChI=1S/C13H16BrNO2/c1-17-12-7-6-10(8-11(12)14)15-13(16)9-4-2-3-5-9/h6-9H,2-5H2,1H3,(H,15,16)
InChIKeyNUKBPBKHEVEACU-UHFFFAOYSA-N
XLogP3.59
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.18
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-bromo-4-methoxyphenyl)-4-hydroxycyclohexane-1-carboxamide
CID 115150743
9-amino-N-(3-bromo-4-methoxyphenyl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120989691
N-(3-amino-4-methoxyphenyl)cyclooctanecarboxamide
CID 65023208
N-(4-acetamido-3-methoxyphenyl)cyclohexanecarboxamide
CID 53491142
N-[3-[(3-bromo-4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]cyclohexanecarboxamide
CID 3546890
3-bromo-N-[[[4-(cyclohexanecarbonylamino)benzoyl]amino]carbamothioyl]-4-methoxybenzamide
CID 4502168
(2R,5S)-5-[(3-bromo-4-methoxyphenyl)carbamoyl]oxolane-2-carboxylic acid
CID 102945371
N-(4-amino-3-bromophenyl)cycloheptanecarboxamide
CID 82861556
N-(4-amino-3-bromophenyl)cyclohexanecarboxamide
CID 82861844
N-(4-bromo-3-methylphenyl)cyclohexanecarboxamide
CID 766715
3-bromo-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-4-methoxybenzamide
CID 46475324
N-(5-bromo-2-methoxyphenyl)cyclooctanecarboxamide
CID 65018183

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-methoxyphenyl)cyclopentanecarboxamide?
The IUPAC name of N-(3-bromo-4-methoxyphenyl)cyclopentanecarboxamide (CID 110776805) is N-(3-bromo-4-methoxyphenyl)cyclopentanecarboxamide.
What is the SMILES notation for N-(3-bromo-4-methoxyphenyl)cyclopentanecarboxamide?
The canonical SMILES for N-(3-bromo-4-methoxyphenyl)cyclopentanecarboxamide is COc1ccc(NC(=O)C2CCCC2)cc1Br.
What is the InChIKey of N-(3-bromo-4-methoxyphenyl)cyclopentanecarboxamide?
The InChIKey is NUKBPBKHEVEACU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNO2/c1-17-12-7-6-10(8-11(12)14)15-13(16)9-4-2-3-5-9/h6-9H,2-5H2,1H3,(H,15,16).
What are the key properties of N-(3-bromo-4-methoxyphenyl)cyclopentanecarboxamide?
N-(3-bromo-4-methoxyphenyl)cyclopentanecarboxamide has a molecular weight of 298.18 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-methoxyphenyl)cyclopentanecarboxamide is sourced from PubChem (CID 110776805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).