N-(4-chlorophenoxy)acetamide

C8H8ClNO2 — CID 23180479

IUPACN-(4-chlorophenoxy)acetamide
SMILESCC(=O)NOc1ccc(Cl)cc1
InChIInChI=1S/C8H8ClNO2/c1-6(11)10-12-8-4-2-7(9)3-5-8/h2-5H,1H3,(H,10,11)
InChIKeyMSQPWADDIIZBQN-UHFFFAOYSA-N
MW185.61 g/mol
LogP1.77
Rot. Bonds2

About N-(4-chlorophenoxy)acetamide

N-(4-chlorophenoxy)acetamide (PubChem CID 23180479) has the molecular formula C8H8ClNO2 and a molecular weight of 185.61 g/mol. Its IUPAC name is N-(4-chlorophenoxy)acetamide.

Molecular Properties

Compound NameN-(4-chlorophenoxy)acetamide
PubChem CID23180479
Molecular FormulaC8H8ClNO2
Molecular Weight185.61 g/mol
Exact Mass185.02
IUPAC NameN-(4-chlorophenoxy)acetamide
SMILESCC(=O)NOc1ccc(Cl)cc1
InChIInChI=1S/C8H8ClNO2/c1-6(11)10-12-8-4-2-7(9)3-5-8/h2-5H,1H3,(H,10,11)
InChIKeyMSQPWADDIIZBQN-UHFFFAOYSA-N
XLogP1.77
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.61
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenoxy)acetamide?
The IUPAC name of N-(4-chlorophenoxy)acetamide (CID 23180479) is N-(4-chlorophenoxy)acetamide.
What is the SMILES notation for N-(4-chlorophenoxy)acetamide?
The canonical SMILES for N-(4-chlorophenoxy)acetamide is CC(=O)NOc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenoxy)acetamide?
The InChIKey is MSQPWADDIIZBQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClNO2/c1-6(11)10-12-8-4-2-7(9)3-5-8/h2-5H,1H3,(H,10,11).
What are the key properties of N-(4-chlorophenoxy)acetamide?
N-(4-chlorophenoxy)acetamide has a molecular weight of 185.61 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenoxy)acetamide is sourced from PubChem (CID 23180479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).