N-[2-(4-fluorophenyl)ethyl]-2-(1H-imidazol-2-yl)benzamide;2,2,2-trifluoroacetic acid

C20H17F4N3O3 — CID 154889563

IUPACN-[2-(4-fluorophenyl)ethyl]-2-(1H-imidazol-2-yl)benzamide;2,2,2-trifluoroacetic acid
SMILESO=C(NCCc1ccc(F)cc1)c1ccccc1-c1ncc[nH]1.O=C(O)C(F)(F)F
InChIInChI=1S/C18H16FN3O.C2HF3O2/c19-14-7-5-13(6-8-14)9-10-22-18(23)16-4-2-1-3-15(16)17-20-11-12-21-17;3-2(4,5)1(6)7/h1-8,11-12H,9-10H2,(H,20,21)(H,22,23);(H,6,7)
InChIKeyHZNQGXJNBRIVKX-UHFFFAOYSA-N
MW423.37 g/mol
LogP3.82
Rot. Bonds5

About N-[2-(4-fluorophenyl)ethyl]-2-(1H-imidazol-2-yl)benzamide;2,2,2-trifluoroacetic acid

N-[2-(4-fluorophenyl)ethyl]-2-(1H-imidazol-2-yl)benzamide;2,2,2-trifluoroacetic acid (PubChem CID 154889563) has the molecular formula C20H17F4N3O3 and a molecular weight of 423.37 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-2-(1H-imidazol-2-yl)benzamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-2-(1H-imidazol-2-yl)benzamide;2,2,2-trifluoroacetic acid
PubChem CID154889563
Molecular FormulaC20H17F4N3O3
Molecular Weight423.37 g/mol
Exact Mass423.12
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-2-(1H-imidazol-2-yl)benzamide;2,2,2-trifluoroacetic acid
SMILESO=C(NCCc1ccc(F)cc1)c1ccccc1-c1ncc[nH]1.O=C(O)C(F)(F)F
InChIInChI=1S/C18H16FN3O.C2HF3O2/c19-14-7-5-13(6-8-14)9-10-22-18(23)16-4-2-1-3-15(16)17-20-11-12-21-17;3-2(4,5)1(6)7/h1-8,11-12H,9-10H2,(H,20,21)(H,22,23);(H,6,7)
InChIKeyHZNQGXJNBRIVKX-UHFFFAOYSA-N
XLogP3.82
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.37
LogP ≤ 53.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2-(1H-imidazol-2-yl)benzamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2-(1H-imidazol-2-yl)benzamide;2,2,2-trifluoroacetic acid (CID 154889563) is N-[2-(4-fluorophenyl)ethyl]-2-(1H-imidazol-2-yl)benzamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-2-(1H-imidazol-2-yl)benzamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-2-(1H-imidazol-2-yl)benzamide;2,2,2-trifluoroacetic acid is O=C(NCCc1ccc(F)cc1)c1ccccc1-c1ncc[nH]1.O=C(O)C(F)(F)F.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-2-(1H-imidazol-2-yl)benzamide;2,2,2-trifluoroacetic acid?
The InChIKey is HZNQGXJNBRIVKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O.C2HF3O2/c19-14-7-5-13(6-8-14)9-10-22-18(23)16-4-2-1-3-15(16)17-20-11-12-21-17;3-2(4,5)1(6)7/h1-8,11-12H,9-10H2,(H,20,21)(H,22,23);(H,6,7).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-2-(1H-imidazol-2-yl)benzamide;2,2,2-trifluoroacetic acid?
N-[2-(4-fluorophenyl)ethyl]-2-(1H-imidazol-2-yl)benzamide;2,2,2-trifluoroacetic acid has a molecular weight of 423.37 g/mol, XLogP of 3.82, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-2-(1H-imidazol-2-yl)benzamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 154889563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).