N-[4-(2-chloroacetyl)phenyl]acetamide

C10H10ClNO2 — CID 8805

IUPACN-[4-(2-chloroacetyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)CCl)cc1
InChIInChI=1S/C10H10ClNO2/c1-7(13)12-9-4-2-8(3-5-9)10(14)6-11/h2-5H,6H2,1H3,(H,12,13)
InChIKeyVMMDOCYDNRLESP-UHFFFAOYSA-N
MW211.65 g/mol
LogP2.07
Rot. Bonds3

About N-[4-(2-chloroacetyl)phenyl]acetamide

N-[4-(2-chloroacetyl)phenyl]acetamide (PubChem CID 8805) has the molecular formula C10H10ClNO2 and a molecular weight of 211.65 g/mol. Its IUPAC name is N-[4-(2-chloroacetyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(2-chloroacetyl)phenyl]acetamide
PubChem CID8805
Molecular FormulaC10H10ClNO2
Molecular Weight211.65 g/mol
Exact Mass211.04
IUPAC NameN-[4-(2-chloroacetyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)CCl)cc1
InChIInChI=1S/C10H10ClNO2/c1-7(13)12-9-4-2-8(3-5-9)10(14)6-11/h2-5H,6H2,1H3,(H,12,13)
InChIKeyVMMDOCYDNRLESP-UHFFFAOYSA-N
XLogP2.07
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.65
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-chloroacetyl)phenyl]acetamide?
The IUPAC name of N-[4-(2-chloroacetyl)phenyl]acetamide (CID 8805) is N-[4-(2-chloroacetyl)phenyl]acetamide.
What is the SMILES notation for N-[4-(2-chloroacetyl)phenyl]acetamide?
The canonical SMILES for N-[4-(2-chloroacetyl)phenyl]acetamide is CC(=O)Nc1ccc(C(=O)CCl)cc1.
What is the InChIKey of N-[4-(2-chloroacetyl)phenyl]acetamide?
The InChIKey is VMMDOCYDNRLESP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO2/c1-7(13)12-9-4-2-8(3-5-9)10(14)6-11/h2-5H,6H2,1H3,(H,12,13).
What are the key properties of N-[4-(2-chloroacetyl)phenyl]acetamide?
N-[4-(2-chloroacetyl)phenyl]acetamide has a molecular weight of 211.65 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-chloroacetyl)phenyl]acetamide is sourced from PubChem (CID 8805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).