2-(4-bromo-2-chlorophenoxy)-N-(cyclopentylcarbamoyl)acetamide

C14H16BrClN2O3 — CID 3882773

IUPAC2-(4-bromo-2-chlorophenoxy)-N-(cyclopentylcarbamoyl)acetamide
SMILESO=C(COc1ccc(Br)cc1Cl)NC(=O)NC1CCCC1
InChIInChI=1S/C14H16BrClN2O3/c15-9-5-6-12(11(16)7-9)21-8-13(19)18-14(20)17-10-3-1-2-4-10/h5-7,10H,1-4,8H2,(H2,17,18,19,20)
InChIKeyOZWFSSILNKRNCF-UHFFFAOYSA-N
MW375.65 g/mol
LogP3.25
Rot. Bonds4

About 2-(4-bromo-2-chlorophenoxy)-N-(cyclopentylcarbamoyl)acetamide

2-(4-bromo-2-chlorophenoxy)-N-(cyclopentylcarbamoyl)acetamide (PubChem CID 3882773) has the molecular formula C14H16BrClN2O3 and a molecular weight of 375.65 g/mol. Its IUPAC name is 2-(4-bromo-2-chlorophenoxy)-N-(cyclopentylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-chlorophenoxy)-N-(cyclopentylcarbamoyl)acetamide
PubChem CID3882773
Molecular FormulaC14H16BrClN2O3
Molecular Weight375.65 g/mol
Exact Mass374.00
IUPAC Name2-(4-bromo-2-chlorophenoxy)-N-(cyclopentylcarbamoyl)acetamide
SMILESO=C(COc1ccc(Br)cc1Cl)NC(=O)NC1CCCC1
InChIInChI=1S/C14H16BrClN2O3/c15-9-5-6-12(11(16)7-9)21-8-13(19)18-14(20)17-10-3-1-2-4-10/h5-7,10H,1-4,8H2,(H2,17,18,19,20)
InChIKeyOZWFSSILNKRNCF-UHFFFAOYSA-N
XLogP3.25
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.65
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chlorophenoxy)-N-(cyclopentylcarbamoyl)acetamide?
The IUPAC name of 2-(4-bromo-2-chlorophenoxy)-N-(cyclopentylcarbamoyl)acetamide (CID 3882773) is 2-(4-bromo-2-chlorophenoxy)-N-(cyclopentylcarbamoyl)acetamide.
What is the SMILES notation for 2-(4-bromo-2-chlorophenoxy)-N-(cyclopentylcarbamoyl)acetamide?
The canonical SMILES for 2-(4-bromo-2-chlorophenoxy)-N-(cyclopentylcarbamoyl)acetamide is O=C(COc1ccc(Br)cc1Cl)NC(=O)NC1CCCC1.
What is the InChIKey of 2-(4-bromo-2-chlorophenoxy)-N-(cyclopentylcarbamoyl)acetamide?
The InChIKey is OZWFSSILNKRNCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrClN2O3/c15-9-5-6-12(11(16)7-9)21-8-13(19)18-14(20)17-10-3-1-2-4-10/h5-7,10H,1-4,8H2,(H2,17,18,19,20).
What are the key properties of 2-(4-bromo-2-chlorophenoxy)-N-(cyclopentylcarbamoyl)acetamide?
2-(4-bromo-2-chlorophenoxy)-N-(cyclopentylcarbamoyl)acetamide has a molecular weight of 375.65 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-chlorophenoxy)-N-(cyclopentylcarbamoyl)acetamide is sourced from PubChem (CID 3882773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).