N-[2-(2-ethoxyethoxy)-5-(1H-imidazol-2-yl)phenyl]-3,4-difluorobenzamide

C20H19F2N3O3 — CID 175144515

IUPACN-[2-(2-ethoxyethoxy)-5-(1H-imidazol-2-yl)phenyl]-3,4-difluorobenzamide
SMILESCCOCCOc1ccc(-c2ncc[nH]2)cc1NC(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C20H19F2N3O3/c1-2-27-9-10-28-18-6-4-13(19-23-7-8-24-19)12-17(18)25-20(26)14-3-5-15(21)16(22)11-14/h3-8,11-12H,2,9-10H2,1H3,(H,23,24)(H,25,26)
InChIKeySTTKWLUDHZDDLV-UHFFFAOYSA-N
MW387.39 g/mol
LogP4.02
Rot. Bonds8

About N-[2-(2-ethoxyethoxy)-5-(1H-imidazol-2-yl)phenyl]-3,4-difluorobenzamide

N-[2-(2-ethoxyethoxy)-5-(1H-imidazol-2-yl)phenyl]-3,4-difluorobenzamide (PubChem CID 175144515) has the molecular formula C20H19F2N3O3 and a molecular weight of 387.39 g/mol. Its IUPAC name is N-[2-(2-ethoxyethoxy)-5-(1H-imidazol-2-yl)phenyl]-3,4-difluorobenzamide.

Molecular Properties

Compound NameN-[2-(2-ethoxyethoxy)-5-(1H-imidazol-2-yl)phenyl]-3,4-difluorobenzamide
PubChem CID175144515
Molecular FormulaC20H19F2N3O3
Molecular Weight387.39 g/mol
Exact Mass387.14
IUPAC NameN-[2-(2-ethoxyethoxy)-5-(1H-imidazol-2-yl)phenyl]-3,4-difluorobenzamide
SMILESCCOCCOc1ccc(-c2ncc[nH]2)cc1NC(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C20H19F2N3O3/c1-2-27-9-10-28-18-6-4-13(19-23-7-8-24-19)12-17(18)25-20(26)14-3-5-15(21)16(22)11-14/h3-8,11-12H,2,9-10H2,1H3,(H,23,24)(H,25,26)
InChIKeySTTKWLUDHZDDLV-UHFFFAOYSA-N
XLogP4.02
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.39
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-ethoxyethoxy)-5-(1H-imidazol-2-yl)phenyl]-3,4-difluorobenzamide?
The IUPAC name of N-[2-(2-ethoxyethoxy)-5-(1H-imidazol-2-yl)phenyl]-3,4-difluorobenzamide (CID 175144515) is N-[2-(2-ethoxyethoxy)-5-(1H-imidazol-2-yl)phenyl]-3,4-difluorobenzamide.
What is the SMILES notation for N-[2-(2-ethoxyethoxy)-5-(1H-imidazol-2-yl)phenyl]-3,4-difluorobenzamide?
The canonical SMILES for N-[2-(2-ethoxyethoxy)-5-(1H-imidazol-2-yl)phenyl]-3,4-difluorobenzamide is CCOCCOc1ccc(-c2ncc[nH]2)cc1NC(=O)c1ccc(F)c(F)c1.
What is the InChIKey of N-[2-(2-ethoxyethoxy)-5-(1H-imidazol-2-yl)phenyl]-3,4-difluorobenzamide?
The InChIKey is STTKWLUDHZDDLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N3O3/c1-2-27-9-10-28-18-6-4-13(19-23-7-8-24-19)12-17(18)25-20(26)14-3-5-15(21)16(22)11-14/h3-8,11-12H,2,9-10H2,1H3,(H,23,24)(H,25,26).
What are the key properties of N-[2-(2-ethoxyethoxy)-5-(1H-imidazol-2-yl)phenyl]-3,4-difluorobenzamide?
N-[2-(2-ethoxyethoxy)-5-(1H-imidazol-2-yl)phenyl]-3,4-difluorobenzamide has a molecular weight of 387.39 g/mol, XLogP of 4.02, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-ethoxyethoxy)-5-(1H-imidazol-2-yl)phenyl]-3,4-difluorobenzamide is sourced from PubChem (CID 175144515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).