N-[2-(2,6-dichloro-4-fluoroanilino)ethyl]acetamide

C10H11Cl2FN2O — CID 107529850

IUPACN-[2-(2,6-dichloro-4-fluoroanilino)ethyl]acetamide
SMILESCC(=O)NCCNc1c(Cl)cc(F)cc1Cl
InChIInChI=1S/C10H11Cl2FN2O/c1-6(16)14-2-3-15-10-8(11)4-7(13)5-9(10)12/h4-5,15H,2-3H2,1H3,(H,14,16)
InChIKeyFWRFRSGYYMBGIR-UHFFFAOYSA-N
MW265.12 g/mol
LogP2.68
Rot. Bonds4

About N-[2-(2,6-dichloro-4-fluoroanilino)ethyl]acetamide

N-[2-(2,6-dichloro-4-fluoroanilino)ethyl]acetamide (PubChem CID 107529850) has the molecular formula C10H11Cl2FN2O and a molecular weight of 265.12 g/mol. Its IUPAC name is N-[2-(2,6-dichloro-4-fluoroanilino)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(2,6-dichloro-4-fluoroanilino)ethyl]acetamide
PubChem CID107529850
Molecular FormulaC10H11Cl2FN2O
Molecular Weight265.12 g/mol
Exact Mass264.02
IUPAC NameN-[2-(2,6-dichloro-4-fluoroanilino)ethyl]acetamide
SMILESCC(=O)NCCNc1c(Cl)cc(F)cc1Cl
InChIInChI=1S/C10H11Cl2FN2O/c1-6(16)14-2-3-15-10-8(11)4-7(13)5-9(10)12/h4-5,15H,2-3H2,1H3,(H,14,16)
InChIKeyFWRFRSGYYMBGIR-UHFFFAOYSA-N
XLogP2.68
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.12
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-chloro-4,6-difluoroanilino)ethyl]acetamide
CID 107529852
methyl 3-(2,6-dichloro-4-fluoroanilino)propanoate
CID 83079052
N-[2-(3,5-dichloroanilino)ethyl]acetamide
CID 82539545
N-[2-(4-amino-2,6-difluoroanilino)ethyl]acetamide
CID 61015513
2,6-dichloro-4-fluoro-N-(3-fluoropropyl)aniline
CID 83079484
N-[4-(2-amino-3-chloro-5-fluorophenyl)but-3-enyl]acetamide
CID 170488718
N-[2-(2-bromo-6-fluoroanilino)ethyl]acetamide
CID 107599336
methyl 3-(2,6-dichloro-4-fluoroanilino)-2-methylpropanoate
CID 83079185
N-[2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]ethyl]acetamide
CID 107326734
N-(2-acetamidoethyl)-N'-(3,5-dichloro-4-fluorophenyl)oxamide
CID 167889327
3-chloro-N-(2,6-dichloro-4-fluorophenyl)-2,2-dimethylpropanamide
CID 83079158
2-(2,6-dichloro-4-fluoroanilino)-N-(2-methylbutan-2-yl)acetamide
CID 83079465

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dichloro-4-fluoroanilino)ethyl]acetamide?
The IUPAC name of N-[2-(2,6-dichloro-4-fluoroanilino)ethyl]acetamide (CID 107529850) is N-[2-(2,6-dichloro-4-fluoroanilino)ethyl]acetamide.
What is the SMILES notation for N-[2-(2,6-dichloro-4-fluoroanilino)ethyl]acetamide?
The canonical SMILES for N-[2-(2,6-dichloro-4-fluoroanilino)ethyl]acetamide is CC(=O)NCCNc1c(Cl)cc(F)cc1Cl.
What is the InChIKey of N-[2-(2,6-dichloro-4-fluoroanilino)ethyl]acetamide?
The InChIKey is FWRFRSGYYMBGIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2FN2O/c1-6(16)14-2-3-15-10-8(11)4-7(13)5-9(10)12/h4-5,15H,2-3H2,1H3,(H,14,16).
What are the key properties of N-[2-(2,6-dichloro-4-fluoroanilino)ethyl]acetamide?
N-[2-(2,6-dichloro-4-fluoroanilino)ethyl]acetamide has a molecular weight of 265.12 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dichloro-4-fluoroanilino)ethyl]acetamide is sourced from PubChem (CID 107529850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).