N-(5-bromo-2-chlorophenyl)-2-cyclobutylacetamide

C12H13BrClNO — CID 103707266

IUPACN-(5-bromo-2-chlorophenyl)-2-cyclobutylacetamide
SMILESO=C(CC1CCC1)Nc1cc(Br)ccc1Cl
InChIInChI=1S/C12H13BrClNO/c13-9-4-5-10(14)11(7-9)15-12(16)6-8-2-1-3-8/h4-5,7-8H,1-3,6H2,(H,15,16)
InChIKeyXCJRKXLIZLNRRK-UHFFFAOYSA-N
MW302.60 g/mol
LogP4.23
Rot. Bonds3

About N-(5-bromo-2-chlorophenyl)-2-cyclobutylacetamide

N-(5-bromo-2-chlorophenyl)-2-cyclobutylacetamide (PubChem CID 103707266) has the molecular formula C12H13BrClNO and a molecular weight of 302.60 g/mol. Its IUPAC name is N-(5-bromo-2-chlorophenyl)-2-cyclobutylacetamide.

Molecular Properties

Compound NameN-(5-bromo-2-chlorophenyl)-2-cyclobutylacetamide
PubChem CID103707266
Molecular FormulaC12H13BrClNO
Molecular Weight302.60 g/mol
Exact Mass300.99
IUPAC NameN-(5-bromo-2-chlorophenyl)-2-cyclobutylacetamide
SMILESO=C(CC1CCC1)Nc1cc(Br)ccc1Cl
InChIInChI=1S/C12H13BrClNO/c13-9-4-5-10(14)11(7-9)15-12(16)6-8-2-1-3-8/h4-5,7-8H,1-3,6H2,(H,15,16)
InChIKeyXCJRKXLIZLNRRK-UHFFFAOYSA-N
XLogP4.23
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.60
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-cyclopentyl-N-(2,5-dichlorophenyl)acetamide
CID 7733768
N-(5-amino-2-chlorophenyl)-2-cyclohexylacetamide
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N-[2-chloro-5-[(E)-N'-hydroxycarbamimidoyl]phenyl]-2-cyclobutylacetamide
CID 103166180
N-(2-chloro-5-cyanophenyl)-2-cycloheptylacetamide
CID 115687176
N-(2-chloro-5-sulfamoylphenyl)-2-cyclohexylacetamide
CID 61130512
N-(4-bromo-2,6-dichlorophenyl)-2-cyclopentylacetamide
CID 68711978
N-(2-amino-4-bromophenyl)-2-cyclohexylacetamide
CID 43130499
N-(4-bromo-2-fluorophenyl)-2-cycloheptylacetamide
CID 114457942
N-(4-bromo-2-pyridinyl)-2-cyclobutylacetamide
CID 102674085
N-(2-chloro-5-iodophenyl)-2-piperidin-3-ylacetamide
CID 114259816
N-(4-amino-2-chlorophenyl)-2-cyclohexylacetamide
CID 28776891
N-(5-bromo-2-chlorophenyl)-3-(methylamino)propanamide
CID 62908403

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-chlorophenyl)-2-cyclobutylacetamide?
The IUPAC name of N-(5-bromo-2-chlorophenyl)-2-cyclobutylacetamide (CID 103707266) is N-(5-bromo-2-chlorophenyl)-2-cyclobutylacetamide.
What is the SMILES notation for N-(5-bromo-2-chlorophenyl)-2-cyclobutylacetamide?
The canonical SMILES for N-(5-bromo-2-chlorophenyl)-2-cyclobutylacetamide is O=C(CC1CCC1)Nc1cc(Br)ccc1Cl.
What is the InChIKey of N-(5-bromo-2-chlorophenyl)-2-cyclobutylacetamide?
The InChIKey is XCJRKXLIZLNRRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrClNO/c13-9-4-5-10(14)11(7-9)15-12(16)6-8-2-1-3-8/h4-5,7-8H,1-3,6H2,(H,15,16).
What are the key properties of N-(5-bromo-2-chlorophenyl)-2-cyclobutylacetamide?
N-(5-bromo-2-chlorophenyl)-2-cyclobutylacetamide has a molecular weight of 302.60 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-chlorophenyl)-2-cyclobutylacetamide is sourced from PubChem (CID 103707266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).