2-chloro-N-(2-chloroacetyl)-N-phenylacetamide

C10H9Cl2NO2 — CID 82309091

IUPAC2-chloro-N-(2-chloroacetyl)-N-phenylacetamide
SMILESO=C(CCl)N(C(=O)CCl)c1ccccc1
InChIInChI=1S/C10H9Cl2NO2/c11-6-9(14)13(10(15)7-12)8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKeyVHJNTCKCAOJDAU-UHFFFAOYSA-N
MW246.09 g/mol
LogP2.02
Rot. Bonds3

About 2-chloro-N-(2-chloroacetyl)-N-phenylacetamide

2-chloro-N-(2-chloroacetyl)-N-phenylacetamide (PubChem CID 82309091) has the molecular formula C10H9Cl2NO2 and a molecular weight of 246.09 g/mol. Its IUPAC name is 2-chloro-N-(2-chloroacetyl)-N-phenylacetamide.

Molecular Properties

Compound Name2-chloro-N-(2-chloroacetyl)-N-phenylacetamide
PubChem CID82309091
Molecular FormulaC10H9Cl2NO2
Molecular Weight246.09 g/mol
Exact Mass245.00
IUPAC Name2-chloro-N-(2-chloroacetyl)-N-phenylacetamide
SMILESO=C(CCl)N(C(=O)CCl)c1ccccc1
InChIInChI=1S/C10H9Cl2NO2/c11-6-9(14)13(10(15)7-12)8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKeyVHJNTCKCAOJDAU-UHFFFAOYSA-N
XLogP2.02
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.09
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(hydroxymethyl)-N-phenylacetamide
CID 19762880
N,2-diphenyl-N-(2-phenylacetyl)acetamide
CID 23298384
2-chloro-N-[4-(dimethylamino)phenyl]-N-phenylacetamide
CID 70059360
2-chloro-N-((1,2,3,4,5,6-13C6)cyclohexatrienyl)-N-(2,6-dichlorophenyl)acetamide
CID 169436235
3-chloro-N,N-diphenylpropanamide
CID 3331408
2-chloro-N-(2-cyanoethyl)-N-phenylacetamide
CID 2404872
2-chloro-N-(4-nitrophenyl)-N-phenylacetamide
CID 10979160
2-chloro-N-phenyl-N-(2H-tetrazol-5-yl)acetamide
CID 138426553
methyl 2-[4-(N-(2-chloroacetyl)anilino)phenyl]acetate
CID 70059484
methyl 2-(N-(2-chloroacetyl)anilino)benzoate
CID 13170986
ethyl N-carbonochloridoyl-N-phenylcarbamate
CID 54098046
4-chloro-N-methyl-N-phenylbutanamide
CID 16780864

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-chloroacetyl)-N-phenylacetamide?
The IUPAC name of 2-chloro-N-(2-chloroacetyl)-N-phenylacetamide (CID 82309091) is 2-chloro-N-(2-chloroacetyl)-N-phenylacetamide.
What is the SMILES notation for 2-chloro-N-(2-chloroacetyl)-N-phenylacetamide?
The canonical SMILES for 2-chloro-N-(2-chloroacetyl)-N-phenylacetamide is O=C(CCl)N(C(=O)CCl)c1ccccc1.
What is the InChIKey of 2-chloro-N-(2-chloroacetyl)-N-phenylacetamide?
The InChIKey is VHJNTCKCAOJDAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2NO2/c11-6-9(14)13(10(15)7-12)8-4-2-1-3-5-8/h1-5H,6-7H2.
What are the key properties of 2-chloro-N-(2-chloroacetyl)-N-phenylacetamide?
2-chloro-N-(2-chloroacetyl)-N-phenylacetamide has a molecular weight of 246.09 g/mol, XLogP of 2.02, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-chloroacetyl)-N-phenylacetamide is sourced from PubChem (CID 82309091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).