2,2-dichloro-N-(5-chloro-2-fluorophenyl)acetamide

C8H5Cl3FNO — CID 44519506

IUPAC2,2-dichloro-N-(5-chloro-2-fluorophenyl)acetamide
SMILESO=C(Nc1cc(Cl)ccc1F)C(Cl)Cl
InChIInChI=1S/C8H5Cl3FNO/c9-4-1-2-5(12)6(3-4)13-8(14)7(10)11/h1-3,7H,(H,13,14)
InChIKeyLZYJIZSHSBCVKH-UHFFFAOYSA-N
MW256.49 g/mol
LogP3.22
Rot. Bonds2

About 2,2-dichloro-N-(5-chloro-2-fluorophenyl)acetamide

2,2-dichloro-N-(5-chloro-2-fluorophenyl)acetamide (PubChem CID 44519506) has the molecular formula C8H5Cl3FNO and a molecular weight of 256.49 g/mol. Its IUPAC name is 2,2-dichloro-N-(5-chloro-2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2,2-dichloro-N-(5-chloro-2-fluorophenyl)acetamide
PubChem CID44519506
Molecular FormulaC8H5Cl3FNO
Molecular Weight256.49 g/mol
Exact Mass254.94
IUPAC Name2,2-dichloro-N-(5-chloro-2-fluorophenyl)acetamide
SMILESO=C(Nc1cc(Cl)ccc1F)C(Cl)Cl
InChIInChI=1S/C8H5Cl3FNO/c9-4-1-2-5(12)6(3-4)13-8(14)7(10)11/h1-3,7H,(H,13,14)
InChIKeyLZYJIZSHSBCVKH-UHFFFAOYSA-N
XLogP3.22
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.49
LogP ≤ 53.22
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

2-(5-chloro-2-fluoroanilino)-2-oxoacetic acid
CID 43444985
methyl N-(5-chloro-2-fluorophenyl)carbamate
CID 110778567
N-(5-chloro-2-fluorophenyl)-2-hydroxyacetamide
CID 16769009
1-tert-butyl-3-(5-chloro-2-fluorophenyl)urea
CID 78786317
2-(carbamoylamino)-N-(5-chloro-2-fluorophenyl)-3-methylbutanamide
CID 42906469
3-(5-chloro-2-fluorophenyl)-1,1-dimethylurea
CID 112684763
6-amino-N-(5-chloro-2-fluorophenyl)-2-methylheptanamide
CID 65292812
3-[(5-chloro-2-fluorophenyl)carbamoylamino]butanoic acid
CID 61199394
methyl 2-(5-chloro-2-fluoroanilino)-2-oxoacetate
CID 112616665
N-(5-chloro-2-fluorophenyl)-3-hydroxypropanamide
CID 115138756
N-(5-chloro-2-fluorophenyl)-4-fluorobenzamide
CID 2664585
2-chloro-N-[5-chloro-2-(dimethylamino)phenyl]propanamide
CID 43700084

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-N-(5-chloro-2-fluorophenyl)acetamide?
The IUPAC name of 2,2-dichloro-N-(5-chloro-2-fluorophenyl)acetamide (CID 44519506) is 2,2-dichloro-N-(5-chloro-2-fluorophenyl)acetamide.
What is the SMILES notation for 2,2-dichloro-N-(5-chloro-2-fluorophenyl)acetamide?
The canonical SMILES for 2,2-dichloro-N-(5-chloro-2-fluorophenyl)acetamide is O=C(Nc1cc(Cl)ccc1F)C(Cl)Cl.
What is the InChIKey of 2,2-dichloro-N-(5-chloro-2-fluorophenyl)acetamide?
The InChIKey is LZYJIZSHSBCVKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Cl3FNO/c9-4-1-2-5(12)6(3-4)13-8(14)7(10)11/h1-3,7H,(H,13,14).
What are the key properties of 2,2-dichloro-N-(5-chloro-2-fluorophenyl)acetamide?
2,2-dichloro-N-(5-chloro-2-fluorophenyl)acetamide has a molecular weight of 256.49 g/mol, XLogP of 3.22, 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-(5-chloro-2-fluorophenyl)acetamide is sourced from PubChem (CID 44519506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).