2-chloro-N-[3-chloro-4-(difluoromethoxy)phenyl]acetamide

C9H7Cl2F2NO2 — CID 4885557

IUPAC2-chloro-N-[3-chloro-4-(difluoromethoxy)phenyl]acetamide
SMILESO=C(CCl)Nc1ccc(OC(F)F)c(Cl)c1
InChIInChI=1S/C9H7Cl2F2NO2/c10-4-8(15)14-5-1-2-7(6(11)3-5)16-9(12)13/h1-3,9H,4H2,(H,14,15)
InChIKeyWWDMFMODJDSMSY-UHFFFAOYSA-N
MW270.06 g/mol
LogP3.12
Rot. Bonds4

About 2-chloro-N-[3-chloro-4-(difluoromethoxy)phenyl]acetamide

2-chloro-N-[3-chloro-4-(difluoromethoxy)phenyl]acetamide (PubChem CID 4885557) has the molecular formula C9H7Cl2F2NO2 and a molecular weight of 270.06 g/mol. Its IUPAC name is 2-chloro-N-[3-chloro-4-(difluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[3-chloro-4-(difluoromethoxy)phenyl]acetamide
PubChem CID4885557
Molecular FormulaC9H7Cl2F2NO2
Molecular Weight270.06 g/mol
Exact Mass268.98
IUPAC Name2-chloro-N-[3-chloro-4-(difluoromethoxy)phenyl]acetamide
SMILESO=C(CCl)Nc1ccc(OC(F)F)c(Cl)c1
InChIInChI=1S/C9H7Cl2F2NO2/c10-4-8(15)14-5-1-2-7(6(11)3-5)16-9(12)13/h1-3,9H,4H2,(H,14,15)
InChIKeyWWDMFMODJDSMSY-UHFFFAOYSA-N
XLogP3.12
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.06
LogP ≤ 53.12
H-Bond Donors ≤ 51
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-[4-(difluoromethoxy)-3-fluorophenyl]acetamide
CID 60807874
3-acetamido-N-[3-chloro-4-(difluoromethoxy)phenyl]propanamide
CID 16589515
N-[3-chloro-4-(difluoromethoxy)phenyl]-4-(methylamino)butanamide
CID 61258739
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(4-fluorophenyl)acetamide
CID 4842173
N-[3-chloro-4-(difluoromethoxy)phenyl]-2,2-difluoroacetamide
CID 113218222
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(2-methoxyethylamino)acetamide
CID 78910804
ethyl N-[3-chloro-4-(difluoromethoxy)phenyl]carbamate
CID 60637785
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(4-chloro-5-methylpyrazol-1-yl)acetamide
CID 19520668
2-[3-chloro-4-(difluoromethoxy)anilino]-N-(3-fluorophenyl)acetamide
CID 9103360
2-benzylsulfanyl-N-[3-chloro-4-(difluoromethoxy)phenyl]acetamide
CID 16527789
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(2,5-dimethoxyphenyl)acetamide
CID 78804386
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-piperazin-1-ylacetamide
CID 61259459

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-chloro-4-(difluoromethoxy)phenyl]acetamide?
The IUPAC name of 2-chloro-N-[3-chloro-4-(difluoromethoxy)phenyl]acetamide (CID 4885557) is 2-chloro-N-[3-chloro-4-(difluoromethoxy)phenyl]acetamide.
What is the SMILES notation for 2-chloro-N-[3-chloro-4-(difluoromethoxy)phenyl]acetamide?
The canonical SMILES for 2-chloro-N-[3-chloro-4-(difluoromethoxy)phenyl]acetamide is O=C(CCl)Nc1ccc(OC(F)F)c(Cl)c1.
What is the InChIKey of 2-chloro-N-[3-chloro-4-(difluoromethoxy)phenyl]acetamide?
The InChIKey is WWDMFMODJDSMSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl2F2NO2/c10-4-8(15)14-5-1-2-7(6(11)3-5)16-9(12)13/h1-3,9H,4H2,(H,14,15).
What are the key properties of 2-chloro-N-[3-chloro-4-(difluoromethoxy)phenyl]acetamide?
2-chloro-N-[3-chloro-4-(difluoromethoxy)phenyl]acetamide has a molecular weight of 270.06 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-chloro-4-(difluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 4885557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).