3-imidazol-1-yl-N-[4-(trifluoromethoxy)phenyl]butanamide

C14H14F3N3O2 — CID 46340049

IUPAC3-imidazol-1-yl-N-[4-(trifluoromethoxy)phenyl]butanamide
SMILESCC(CC(=O)Nc1ccc(OC(F)(F)F)cc1)n1ccnc1
InChIInChI=1S/C14H14F3N3O2/c1-10(20-7-6-18-9-20)8-13(21)19-11-2-4-12(5-3-11)22-14(15,16)17/h2-7,9-10H,8H2,1H3,(H,19,21)
InChIKeyXLHBSBVBCAGSBL-UHFFFAOYSA-N
MW313.28 g/mol
LogP3.37
Rot. Bonds5

About 3-imidazol-1-yl-N-[4-(trifluoromethoxy)phenyl]butanamide

3-imidazol-1-yl-N-[4-(trifluoromethoxy)phenyl]butanamide (PubChem CID 46340049) has the molecular formula C14H14F3N3O2 and a molecular weight of 313.28 g/mol. Its IUPAC name is 3-imidazol-1-yl-N-[4-(trifluoromethoxy)phenyl]butanamide.

Molecular Properties

Compound Name3-imidazol-1-yl-N-[4-(trifluoromethoxy)phenyl]butanamide
PubChem CID46340049
Molecular FormulaC14H14F3N3O2
Molecular Weight313.28 g/mol
Exact Mass313.10
IUPAC Name3-imidazol-1-yl-N-[4-(trifluoromethoxy)phenyl]butanamide
SMILESCC(CC(=O)Nc1ccc(OC(F)(F)F)cc1)n1ccnc1
InChIInChI=1S/C14H14F3N3O2/c1-10(20-7-6-18-9-20)8-13(21)19-11-2-4-12(5-3-11)22-14(15,16)17/h2-7,9-10H,8H2,1H3,(H,19,21)
InChIKeyXLHBSBVBCAGSBL-UHFFFAOYSA-N
XLogP3.37
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.28
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-imidazol-1-yl-N-[4-(trifluoromethoxy)phenyl]butanamide with MolForge

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

Launch Full Analysis

Related Compounds

(3R)-3-pyrazol-1-yl-N-[4-(trifluoromethoxy)phenyl]butanamide
CID 92708068
(3S)-3-imidazol-1-yl-N-(3-methoxyphenyl)butanamide
CID 92749514
(3R)-3-imidazol-1-yl-N-methyl-4-morpholin-4-yl-4-oxo-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]butanamide
CID 41083178
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-imidazol-1-ylbutanamide
CID 46340042
N-(2,4-difluorophenyl)-3-imidazol-1-ylbutanamide
CID 46340029
[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]-propan-2-ylazanium
CID 2098849
5-amino-N-[4-(trifluoromethoxy)phenyl]hexanamide
CID 82848288
N-(4-ethoxyphenyl)-3-(1,2,4-triazol-1-yl)butanamide
CID 15943640
3,3,3-trifluoro-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 174736453
2-(2-ethylimidazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 75390344
2-(4-methoxyphenoxy)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 2711310
N'-[4-(trifluoromethoxy)phenyl]propanediamide
CID 140529911

Frequently Asked Questions

What is the IUPAC name of 3-imidazol-1-yl-N-[4-(trifluoromethoxy)phenyl]butanamide?
The IUPAC name of 3-imidazol-1-yl-N-[4-(trifluoromethoxy)phenyl]butanamide (CID 46340049) is 3-imidazol-1-yl-N-[4-(trifluoromethoxy)phenyl]butanamide.
What is the SMILES notation for 3-imidazol-1-yl-N-[4-(trifluoromethoxy)phenyl]butanamide?
The canonical SMILES for 3-imidazol-1-yl-N-[4-(trifluoromethoxy)phenyl]butanamide is CC(CC(=O)Nc1ccc(OC(F)(F)F)cc1)n1ccnc1.
What is the InChIKey of 3-imidazol-1-yl-N-[4-(trifluoromethoxy)phenyl]butanamide?
The InChIKey is XLHBSBVBCAGSBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O2/c1-10(20-7-6-18-9-20)8-13(21)19-11-2-4-12(5-3-11)22-14(15,16)17/h2-7,9-10H,8H2,1H3,(H,19,21).
What are the key properties of 3-imidazol-1-yl-N-[4-(trifluoromethoxy)phenyl]butanamide?
3-imidazol-1-yl-N-[4-(trifluoromethoxy)phenyl]butanamide has a molecular weight of 313.28 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazol-1-yl-N-[4-(trifluoromethoxy)phenyl]butanamide is sourced from PubChem (CID 46340049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).