N-[2-imidazol-1-yl-5-(trifluoromethyl)phenyl]cyclobutanecarboxamide

C15H14F3N3O — CID 172916327

IUPACN-[2-imidazol-1-yl-5-(trifluoromethyl)phenyl]cyclobutanecarboxamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1-n1ccnc1)C1CCC1
InChIInChI=1S/C15H14F3N3O/c16-15(17,18)11-4-5-13(21-7-6-19-9-21)12(8-11)20-14(22)10-2-1-3-10/h4-10H,1-3H2,(H,20,22)
InChIKeyBYMJBQWJAXDGIX-UHFFFAOYSA-N
MW309.29 g/mol
LogP3.63
Rot. Bonds3

About N-[2-imidazol-1-yl-5-(trifluoromethyl)phenyl]cyclobutanecarboxamide

N-[2-imidazol-1-yl-5-(trifluoromethyl)phenyl]cyclobutanecarboxamide (PubChem CID 172916327) has the molecular formula C15H14F3N3O and a molecular weight of 309.29 g/mol. Its IUPAC name is N-[2-imidazol-1-yl-5-(trifluoromethyl)phenyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[2-imidazol-1-yl-5-(trifluoromethyl)phenyl]cyclobutanecarboxamide
PubChem CID172916327
Molecular FormulaC15H14F3N3O
Molecular Weight309.29 g/mol
Exact Mass309.11
IUPAC NameN-[2-imidazol-1-yl-5-(trifluoromethyl)phenyl]cyclobutanecarboxamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1-n1ccnc1)C1CCC1
InChIInChI=1S/C15H14F3N3O/c16-15(17,18)11-4-5-13(21-7-6-19-9-21)12(8-11)20-14(22)10-2-1-3-10/h4-10H,1-3H2,(H,20,22)
InChIKeyBYMJBQWJAXDGIX-UHFFFAOYSA-N
XLogP3.63
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.29
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-imidazol-1-yl-5-(trifluoromethyl)phenyl]cyclobutanecarboxamide?
The IUPAC name of N-[2-imidazol-1-yl-5-(trifluoromethyl)phenyl]cyclobutanecarboxamide (CID 172916327) is N-[2-imidazol-1-yl-5-(trifluoromethyl)phenyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[2-imidazol-1-yl-5-(trifluoromethyl)phenyl]cyclobutanecarboxamide?
The canonical SMILES for N-[2-imidazol-1-yl-5-(trifluoromethyl)phenyl]cyclobutanecarboxamide is O=C(Nc1cc(C(F)(F)F)ccc1-n1ccnc1)C1CCC1.
What is the InChIKey of N-[2-imidazol-1-yl-5-(trifluoromethyl)phenyl]cyclobutanecarboxamide?
The InChIKey is BYMJBQWJAXDGIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N3O/c16-15(17,18)11-4-5-13(21-7-6-19-9-21)12(8-11)20-14(22)10-2-1-3-10/h4-10H,1-3H2,(H,20,22).
What are the key properties of N-[2-imidazol-1-yl-5-(trifluoromethyl)phenyl]cyclobutanecarboxamide?
N-[2-imidazol-1-yl-5-(trifluoromethyl)phenyl]cyclobutanecarboxamide has a molecular weight of 309.29 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-imidazol-1-yl-5-(trifluoromethyl)phenyl]cyclobutanecarboxamide is sourced from PubChem (CID 172916327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).