N-(4-bromo-2,6-dichlorophenyl)-2-cyclopentylacetamide

C13H14BrCl2NO — CID 68711978

IUPACN-(4-bromo-2,6-dichlorophenyl)-2-cyclopentylacetamide
SMILESO=C(CC1CCCC1)Nc1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C13H14BrCl2NO/c14-9-6-10(15)13(11(16)7-9)17-12(18)5-8-3-1-2-4-8/h6-8H,1-5H2,(H,17,18)
InChIKeyCUZIFDPKVXQKBE-UHFFFAOYSA-N
MW351.07 g/mol
LogP5.27
Rot. Bonds3

About N-(4-bromo-2,6-dichlorophenyl)-2-cyclopentylacetamide

N-(4-bromo-2,6-dichlorophenyl)-2-cyclopentylacetamide (PubChem CID 68711978) has the molecular formula C13H14BrCl2NO and a molecular weight of 351.07 g/mol. Its IUPAC name is N-(4-bromo-2,6-dichlorophenyl)-2-cyclopentylacetamide.

Molecular Properties

Compound NameN-(4-bromo-2,6-dichlorophenyl)-2-cyclopentylacetamide
PubChem CID68711978
Molecular FormulaC13H14BrCl2NO
Molecular Weight351.07 g/mol
Exact Mass348.96
IUPAC NameN-(4-bromo-2,6-dichlorophenyl)-2-cyclopentylacetamide
SMILESO=C(CC1CCCC1)Nc1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C13H14BrCl2NO/c14-9-6-10(15)13(11(16)7-9)17-12(18)5-8-3-1-2-4-8/h6-8H,1-5H2,(H,17,18)
InChIKeyCUZIFDPKVXQKBE-UHFFFAOYSA-N
XLogP5.27
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.07
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,6-dichlorophenyl)-2-cyclopentylacetamide?
The IUPAC name of N-(4-bromo-2,6-dichlorophenyl)-2-cyclopentylacetamide (CID 68711978) is N-(4-bromo-2,6-dichlorophenyl)-2-cyclopentylacetamide.
What is the SMILES notation for N-(4-bromo-2,6-dichlorophenyl)-2-cyclopentylacetamide?
The canonical SMILES for N-(4-bromo-2,6-dichlorophenyl)-2-cyclopentylacetamide is O=C(CC1CCCC1)Nc1c(Cl)cc(Br)cc1Cl.
What is the InChIKey of N-(4-bromo-2,6-dichlorophenyl)-2-cyclopentylacetamide?
The InChIKey is CUZIFDPKVXQKBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrCl2NO/c14-9-6-10(15)13(11(16)7-9)17-12(18)5-8-3-1-2-4-8/h6-8H,1-5H2,(H,17,18).
What are the key properties of N-(4-bromo-2,6-dichlorophenyl)-2-cyclopentylacetamide?
N-(4-bromo-2,6-dichlorophenyl)-2-cyclopentylacetamide has a molecular weight of 351.07 g/mol, XLogP of 5.27, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,6-dichlorophenyl)-2-cyclopentylacetamide is sourced from PubChem (CID 68711978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).