N-chloro-N-phenylacetamide

C8H8ClNO — CID 11365

IUPACN-chloro-N-phenylacetamide
SMILESCC(=O)N(Cl)c1ccccc1
InChIInChI=1S/C8H8ClNO/c1-7(11)10(9)8-5-3-2-4-6-8/h2-6H,1H3
InChIKeyQNVKMXGRFVLMBM-UHFFFAOYSA-N
MW169.61 g/mol
LogP2.19
Rot. Bonds1

About N-chloro-N-phenylacetamide

N-chloro-N-phenylacetamide (PubChem CID 11365) has the molecular formula C8H8ClNO and a molecular weight of 169.61 g/mol. Its IUPAC name is N-chloro-N-phenylacetamide.

Molecular Properties

Compound NameN-chloro-N-phenylacetamide
PubChem CID11365
Molecular FormulaC8H8ClNO
Molecular Weight169.61 g/mol
Exact Mass169.03
IUPAC NameN-chloro-N-phenylacetamide
SMILESCC(=O)N(Cl)c1ccccc1
InChIInChI=1S/C8H8ClNO/c1-7(11)10(9)8-5-3-2-4-6-8/h2-6H,1H3
InChIKeyQNVKMXGRFVLMBM-UHFFFAOYSA-N
XLogP2.19
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.61
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-chloro-N-phenylacetamide?
The IUPAC name of N-chloro-N-phenylacetamide (CID 11365) is N-chloro-N-phenylacetamide.
What is the SMILES notation for N-chloro-N-phenylacetamide?
The canonical SMILES for N-chloro-N-phenylacetamide is CC(=O)N(Cl)c1ccccc1.
What is the InChIKey of N-chloro-N-phenylacetamide?
The InChIKey is QNVKMXGRFVLMBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClNO/c1-7(11)10(9)8-5-3-2-4-6-8/h2-6H,1H3.
What are the key properties of N-chloro-N-phenylacetamide?
N-chloro-N-phenylacetamide has a molecular weight of 169.61 g/mol, XLogP of 2.19, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-chloro-N-phenylacetamide is sourced from PubChem (CID 11365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).