2-chloro-N-phenylacetamide

C8H8ClNO — CID 11485

IUPAC2-chloro-N-phenylacetamide
SMILESO=C(CCl)Nc1ccccc1
InChIInChI=1S/C8H8ClNO/c9-6-8(11)10-7-4-2-1-3-5-7/h1-5H,6H2,(H,10,11)
InChIKeyVONWPEXRCLHKRJ-UHFFFAOYSA-N
MW169.61 g/mol
LogP1.86
Rot. Bonds2

About 2-chloro-N-phenylacetamide

2-chloro-N-phenylacetamide (PubChem CID 11485) has the molecular formula C8H8ClNO and a molecular weight of 169.61 g/mol. Its IUPAC name is 2-chloro-N-phenylacetamide.

Molecular Properties

Compound Name2-chloro-N-phenylacetamide
PubChem CID11485
Molecular FormulaC8H8ClNO
Molecular Weight169.61 g/mol
Exact Mass169.03
IUPAC Name2-chloro-N-phenylacetamide
SMILESO=C(CCl)Nc1ccccc1
InChIInChI=1S/C8H8ClNO/c9-6-8(11)10-7-4-2-1-3-5-7/h1-5H,6H2,(H,10,11)
InChIKeyVONWPEXRCLHKRJ-UHFFFAOYSA-N
XLogP1.86
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.61
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 2-chloro-N-phenylacetamide?
The IUPAC name of 2-chloro-N-phenylacetamide (CID 11485) is 2-chloro-N-phenylacetamide.
What is the SMILES notation for 2-chloro-N-phenylacetamide?
The canonical SMILES for 2-chloro-N-phenylacetamide is O=C(CCl)Nc1ccccc1.
What is the InChIKey of 2-chloro-N-phenylacetamide?
The InChIKey is VONWPEXRCLHKRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClNO/c9-6-8(11)10-7-4-2-1-3-5-7/h1-5H,6H2,(H,10,11).
What are the key properties of 2-chloro-N-phenylacetamide?
2-chloro-N-phenylacetamide has a molecular weight of 169.61 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-phenylacetamide is sourced from PubChem (CID 11485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).