N-(4-amino-2,6-dichlorophenyl)-2-(2,2-difluoroethoxy)propanamide

C11H12Cl2F2N2O2 — CID 82004014

IUPACN-(4-amino-2,6-dichlorophenyl)-2-(2,2-difluoroethoxy)propanamide
SMILESCC(OCC(F)F)C(=O)Nc1c(Cl)cc(N)cc1Cl
InChIInChI=1S/C11H12Cl2F2N2O2/c1-5(19-4-9(14)15)11(18)17-10-7(12)2-6(16)3-8(10)13/h2-3,5,9H,4,16H2,1H3,(H,17,18)
InChIKeyBIQFWEBJGVDLBM-UHFFFAOYSA-N
MW313.13 g/mol
LogP3.18
Rot. Bonds5

About N-(4-amino-2,6-dichlorophenyl)-2-(2,2-difluoroethoxy)propanamide

N-(4-amino-2,6-dichlorophenyl)-2-(2,2-difluoroethoxy)propanamide (PubChem CID 82004014) has the molecular formula C11H12Cl2F2N2O2 and a molecular weight of 313.13 g/mol. Its IUPAC name is N-(4-amino-2,6-dichlorophenyl)-2-(2,2-difluoroethoxy)propanamide.

Molecular Properties

Compound NameN-(4-amino-2,6-dichlorophenyl)-2-(2,2-difluoroethoxy)propanamide
PubChem CID82004014
Molecular FormulaC11H12Cl2F2N2O2
Molecular Weight313.13 g/mol
Exact Mass312.02
IUPAC NameN-(4-amino-2,6-dichlorophenyl)-2-(2,2-difluoroethoxy)propanamide
SMILESCC(OCC(F)F)C(=O)Nc1c(Cl)cc(N)cc1Cl
InChIInChI=1S/C11H12Cl2F2N2O2/c1-5(19-4-9(14)15)11(18)17-10-7(12)2-6(16)3-8(10)13/h2-3,5,9H,4,16H2,1H3,(H,17,18)
InChIKeyBIQFWEBJGVDLBM-UHFFFAOYSA-N
XLogP3.18
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.13
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-amino-2,6-dichlorophenyl)-2-methoxypropanamide
CID 16782940
N-(4-amino-2,6-dichlorophenyl)-2-(3,3-dimethylbutoxy)propanamide
CID 66232439
N-(4-amino-2,6-dichlorophenyl)-2-(2-ethoxyethoxy)propanamide
CID 43093302
N-(4-amino-2,6-dichlorophenyl)-2-(4-methylpentan-2-yloxy)propanamide
CID 60725471
N-(2-amino-5-chlorophenyl)-2-(2,2-difluoroethoxy)propanamide
CID 82005140
N-(4-amino-2,6-dichlorophenyl)-2-propylsulfinylpropanamide
CID 61302841
N-(4-amino-2,6-dichlorophenyl)-2-pentylsulfanylpropanamide
CID 107748565
N-[4-(aminomethyl)phenyl]-2-(2,2-difluoroethoxy)propanamide
CID 82003922
N-[4-amino-3-(trifluoromethyl)phenyl]-2-(2,2-difluoroethoxy)propanamide
CID 82005916
N-(4-amino-2,6-dichlorophenyl)-2-[methyl(pentyl)amino]propanamide
CID 43294459
N-(4-amino-2,6-dichlorophenyl)-2-(2-methylpentoxy)acetamide
CID 103283073
N-(4-amino-2,6-dichlorophenyl)-3-pentan-2-yloxypropanamide
CID 102980723

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2,6-dichlorophenyl)-2-(2,2-difluoroethoxy)propanamide?
The IUPAC name of N-(4-amino-2,6-dichlorophenyl)-2-(2,2-difluoroethoxy)propanamide (CID 82004014) is N-(4-amino-2,6-dichlorophenyl)-2-(2,2-difluoroethoxy)propanamide.
What is the SMILES notation for N-(4-amino-2,6-dichlorophenyl)-2-(2,2-difluoroethoxy)propanamide?
The canonical SMILES for N-(4-amino-2,6-dichlorophenyl)-2-(2,2-difluoroethoxy)propanamide is CC(OCC(F)F)C(=O)Nc1c(Cl)cc(N)cc1Cl.
What is the InChIKey of N-(4-amino-2,6-dichlorophenyl)-2-(2,2-difluoroethoxy)propanamide?
The InChIKey is BIQFWEBJGVDLBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2F2N2O2/c1-5(19-4-9(14)15)11(18)17-10-7(12)2-6(16)3-8(10)13/h2-3,5,9H,4,16H2,1H3,(H,17,18).
What are the key properties of N-(4-amino-2,6-dichlorophenyl)-2-(2,2-difluoroethoxy)propanamide?
N-(4-amino-2,6-dichlorophenyl)-2-(2,2-difluoroethoxy)propanamide has a molecular weight of 313.13 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2,6-dichlorophenyl)-2-(2,2-difluoroethoxy)propanamide is sourced from PubChem (CID 82004014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).