N-ethyl-4-(1H-imidazol-5-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide

C15H16F3N3O2 — CID 127266606

IUPACN-ethyl-4-(1H-imidazol-5-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
SMILESCCN(CC(O)C(F)(F)F)C(=O)c1ccc(-c2cnc[nH]2)cc1
InChIInChI=1S/C15H16F3N3O2/c1-2-21(8-13(22)15(16,17)18)14(23)11-5-3-10(4-6-11)12-7-19-9-20-12/h3-7,9,13,22H,2,8H2,1H3,(H,19,20)
InChIKeyHDSGCUBUJVOVRE-UHFFFAOYSA-N
MW327.31 g/mol
LogP2.46
Rot. Bonds5

About N-ethyl-4-(1H-imidazol-5-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide

N-ethyl-4-(1H-imidazol-5-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide (PubChem CID 127266606) has the molecular formula C15H16F3N3O2 and a molecular weight of 327.31 g/mol. Its IUPAC name is N-ethyl-4-(1H-imidazol-5-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide.

Molecular Properties

Compound NameN-ethyl-4-(1H-imidazol-5-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
PubChem CID127266606
Molecular FormulaC15H16F3N3O2
Molecular Weight327.31 g/mol
Exact Mass327.12
IUPAC NameN-ethyl-4-(1H-imidazol-5-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
SMILESCCN(CC(O)C(F)(F)F)C(=O)c1ccc(-c2cnc[nH]2)cc1
InChIInChI=1S/C15H16F3N3O2/c1-2-21(8-13(22)15(16,17)18)14(23)11-5-3-10(4-6-11)12-7-19-9-20-12/h3-7,9,13,22H,2,8H2,1H3,(H,19,20)
InChIKeyHDSGCUBUJVOVRE-UHFFFAOYSA-N
XLogP2.46
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.31
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(1H-imidazol-5-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide?
The IUPAC name of N-ethyl-4-(1H-imidazol-5-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide (CID 127266606) is N-ethyl-4-(1H-imidazol-5-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide.
What is the SMILES notation for N-ethyl-4-(1H-imidazol-5-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide?
The canonical SMILES for N-ethyl-4-(1H-imidazol-5-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide is CCN(CC(O)C(F)(F)F)C(=O)c1ccc(-c2cnc[nH]2)cc1.
What is the InChIKey of N-ethyl-4-(1H-imidazol-5-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide?
The InChIKey is HDSGCUBUJVOVRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3O2/c1-2-21(8-13(22)15(16,17)18)14(23)11-5-3-10(4-6-11)12-7-19-9-20-12/h3-7,9,13,22H,2,8H2,1H3,(H,19,20).
What are the key properties of N-ethyl-4-(1H-imidazol-5-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide?
N-ethyl-4-(1H-imidazol-5-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide has a molecular weight of 327.31 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(1H-imidazol-5-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide is sourced from PubChem (CID 127266606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).