2,2-dichloro-N-(3,5-dichlorophenyl)acetamide

C8H5Cl4NO — CID 28663

IUPAC2,2-dichloro-N-(3,5-dichlorophenyl)acetamide
SMILESO=C(Nc1cc(Cl)cc(Cl)c1)C(Cl)Cl
InChIInChI=1S/C8H5Cl4NO/c9-4-1-5(10)3-6(2-4)13-8(14)7(11)12/h1-3,7H,(H,13,14)
InChIKeySSDPYDABCUKLMX-UHFFFAOYSA-N
MW272.95 g/mol
LogP3.74
Rot. Bonds2

About 2,2-dichloro-N-(3,5-dichlorophenyl)acetamide

2,2-dichloro-N-(3,5-dichlorophenyl)acetamide (PubChem CID 28663) has the molecular formula C8H5Cl4NO and a molecular weight of 272.95 g/mol. Its IUPAC name is 2,2-dichloro-N-(3,5-dichlorophenyl)acetamide.

Molecular Properties

Compound Name2,2-dichloro-N-(3,5-dichlorophenyl)acetamide
PubChem CID28663
Molecular FormulaC8H5Cl4NO
Molecular Weight272.95 g/mol
Exact Mass270.91
IUPAC Name2,2-dichloro-N-(3,5-dichlorophenyl)acetamide
SMILESO=C(Nc1cc(Cl)cc(Cl)c1)C(Cl)Cl
InChIInChI=1S/C8H5Cl4NO/c9-4-1-5(10)3-6(2-4)13-8(14)7(11)12/h1-3,7H,(H,13,14)
InChIKeySSDPYDABCUKLMX-UHFFFAOYSA-N
XLogP3.74
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.95
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Chloroacetanilide
CID 11485
N-(3-Chlorophenyl)acetamide
CID 11493
3,4-Dichloroacetanilide
CID 16530
2,2',4',5'-Tetrachloroacetanilide
CID 32018
Acetamide, N-(2,5-dichlorophenyl)-
CID 17494
Acetamide, N-(2,4-dichlorophenyl)-
CID 81459
o-Chloroacetanilide
CID 10777
2,4'-Dichloroacetanilide
CID 94920
Acetamide, N-(2,6-dichlorophenyl)-
CID 28698
Acetamide, N-(2,4,6-trichlorophenyl)-
CID 95872
N-(3-chlorophenyl)-2,2,2-trifluoroacetamide
CID 532127
2-chloro-N-(3-chlorophenyl)acetamide
CID 137639

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-N-(3,5-dichlorophenyl)acetamide?
The IUPAC name of 2,2-dichloro-N-(3,5-dichlorophenyl)acetamide (CID 28663) is 2,2-dichloro-N-(3,5-dichlorophenyl)acetamide.
What is the SMILES notation for 2,2-dichloro-N-(3,5-dichlorophenyl)acetamide?
The canonical SMILES for 2,2-dichloro-N-(3,5-dichlorophenyl)acetamide is O=C(Nc1cc(Cl)cc(Cl)c1)C(Cl)Cl.
What is the InChIKey of 2,2-dichloro-N-(3,5-dichlorophenyl)acetamide?
The InChIKey is SSDPYDABCUKLMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Cl4NO/c9-4-1-5(10)3-6(2-4)13-8(14)7(11)12/h1-3,7H,(H,13,14).
What are the key properties of 2,2-dichloro-N-(3,5-dichlorophenyl)acetamide?
2,2-dichloro-N-(3,5-dichlorophenyl)acetamide has a molecular weight of 272.95 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-N-(3,5-dichlorophenyl)acetamide is sourced from PubChem (CID 28663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).