N-[2-amino-4-methyl-5-(1,1,2,2-tetrafluoroethoxy)phenyl]acetamide

C11H12F4N2O2 — CID 14011573

IUPACN-[2-amino-4-methyl-5-(1,1,2,2-tetrafluoroethoxy)phenyl]acetamide
SMILESCC(=O)Nc1cc(OC(F)(F)C(F)F)c(C)cc1N
InChIInChI=1S/C11H12F4N2O2/c1-5-3-7(16)8(17-6(2)18)4-9(5)19-11(14,15)10(12)13/h3-4,10H,16H2,1-2H3,(H,17,18)
InChIKeyLVWIBMFEGNYEAL-UHFFFAOYSA-N
MW280.22 g/mol
LogP2.77
Rot. Bonds4

About N-[2-amino-4-methyl-5-(1,1,2,2-tetrafluoroethoxy)phenyl]acetamide

N-[2-amino-4-methyl-5-(1,1,2,2-tetrafluoroethoxy)phenyl]acetamide (PubChem CID 14011573) has the molecular formula C11H12F4N2O2 and a molecular weight of 280.22 g/mol. Its IUPAC name is N-[2-amino-4-methyl-5-(1,1,2,2-tetrafluoroethoxy)phenyl]acetamide.

Molecular Properties

Compound NameN-[2-amino-4-methyl-5-(1,1,2,2-tetrafluoroethoxy)phenyl]acetamide
PubChem CID14011573
Molecular FormulaC11H12F4N2O2
Molecular Weight280.22 g/mol
Exact Mass280.08
IUPAC NameN-[2-amino-4-methyl-5-(1,1,2,2-tetrafluoroethoxy)phenyl]acetamide
SMILESCC(=O)Nc1cc(OC(F)(F)C(F)F)c(C)cc1N
InChIInChI=1S/C11H12F4N2O2/c1-5-3-7(16)8(17-6(2)18)4-9(5)19-11(14,15)10(12)13/h3-4,10H,16H2,1-2H3,(H,17,18)
InChIKeyLVWIBMFEGNYEAL-UHFFFAOYSA-N
XLogP2.77
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.22
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-amino-4-methyl-5-(1,1,2,2-tetrafluoroethoxy)phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-4-methyl-5-(1,1,2,2-tetrafluoroethoxy)phenyl]acetamide?
The IUPAC name of N-[2-amino-4-methyl-5-(1,1,2,2-tetrafluoroethoxy)phenyl]acetamide (CID 14011573) is N-[2-amino-4-methyl-5-(1,1,2,2-tetrafluoroethoxy)phenyl]acetamide.
What is the SMILES notation for N-[2-amino-4-methyl-5-(1,1,2,2-tetrafluoroethoxy)phenyl]acetamide?
The canonical SMILES for N-[2-amino-4-methyl-5-(1,1,2,2-tetrafluoroethoxy)phenyl]acetamide is CC(=O)Nc1cc(OC(F)(F)C(F)F)c(C)cc1N.
What is the InChIKey of N-[2-amino-4-methyl-5-(1,1,2,2-tetrafluoroethoxy)phenyl]acetamide?
The InChIKey is LVWIBMFEGNYEAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F4N2O2/c1-5-3-7(16)8(17-6(2)18)4-9(5)19-11(14,15)10(12)13/h3-4,10H,16H2,1-2H3,(H,17,18).
What are the key properties of N-[2-amino-4-methyl-5-(1,1,2,2-tetrafluoroethoxy)phenyl]acetamide?
N-[2-amino-4-methyl-5-(1,1,2,2-tetrafluoroethoxy)phenyl]acetamide has a molecular weight of 280.22 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-4-methyl-5-(1,1,2,2-tetrafluoroethoxy)phenyl]acetamide is sourced from PubChem (CID 14011573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).