N-(5-bromo-2-methoxyphenyl)cyclobutanecarboxamide

C12H14BrNO2 — CID 47317646

IUPACN-(5-bromo-2-methoxyphenyl)cyclobutanecarboxamide
SMILESCOc1ccc(Br)cc1NC(=O)C1CCC1
InChIInChI=1S/C12H14BrNO2/c1-16-11-6-5-9(13)7-10(11)14-12(15)8-3-2-4-8/h5-8H,2-4H2,1H3,(H,14,15)
InChIKeyMJIZBNPQJHXRQJ-UHFFFAOYSA-N
MW284.15 g/mol
LogP3.20
Rot. Bonds3

About N-(5-bromo-2-methoxyphenyl)cyclobutanecarboxamide

N-(5-bromo-2-methoxyphenyl)cyclobutanecarboxamide (PubChem CID 47317646) has the molecular formula C12H14BrNO2 and a molecular weight of 284.15 g/mol. Its IUPAC name is N-(5-bromo-2-methoxyphenyl)cyclobutanecarboxamide.

Molecular Properties

Compound NameN-(5-bromo-2-methoxyphenyl)cyclobutanecarboxamide
PubChem CID47317646
Molecular FormulaC12H14BrNO2
Molecular Weight284.15 g/mol
Exact Mass283.02
IUPAC NameN-(5-bromo-2-methoxyphenyl)cyclobutanecarboxamide
SMILESCOc1ccc(Br)cc1NC(=O)C1CCC1
InChIInChI=1S/C12H14BrNO2/c1-16-11-6-5-9(13)7-10(11)14-12(15)8-3-2-4-8/h5-8H,2-4H2,1H3,(H,14,15)
InChIKeyMJIZBNPQJHXRQJ-UHFFFAOYSA-N
XLogP3.20
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.15
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-methoxyphenyl)cyclobutanecarboxamide?
The IUPAC name of N-(5-bromo-2-methoxyphenyl)cyclobutanecarboxamide (CID 47317646) is N-(5-bromo-2-methoxyphenyl)cyclobutanecarboxamide.
What is the SMILES notation for N-(5-bromo-2-methoxyphenyl)cyclobutanecarboxamide?
The canonical SMILES for N-(5-bromo-2-methoxyphenyl)cyclobutanecarboxamide is COc1ccc(Br)cc1NC(=O)C1CCC1.
What is the InChIKey of N-(5-bromo-2-methoxyphenyl)cyclobutanecarboxamide?
The InChIKey is MJIZBNPQJHXRQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNO2/c1-16-11-6-5-9(13)7-10(11)14-12(15)8-3-2-4-8/h5-8H,2-4H2,1H3,(H,14,15).
What are the key properties of N-(5-bromo-2-methoxyphenyl)cyclobutanecarboxamide?
N-(5-bromo-2-methoxyphenyl)cyclobutanecarboxamide has a molecular weight of 284.15 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-methoxyphenyl)cyclobutanecarboxamide is sourced from PubChem (CID 47317646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).