N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-2-[2-(trifluoromethyl)phenyl]acetamide

C20H15F6N3O — CID 177380087

IUPACN-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-2-[2-(trifluoromethyl)phenyl]acetamide
SMILESCc1cn(-c2cc(NC(=O)Cc3ccccc3C(F)(F)F)cc(C(F)(F)F)c2)cn1
InChIInChI=1S/C20H15F6N3O/c1-12-10-29(11-27-12)16-8-14(19(21,22)23)7-15(9-16)28-18(30)6-13-4-2-3-5-17(13)20(24,25)26/h2-5,7-11H,6H2,1H3,(H,28,30)
InChIKeyKHHLGHGPSGLOPI-UHFFFAOYSA-N
MW427.35 g/mol
LogP5.40
Rot. Bonds4

About N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-2-[2-(trifluoromethyl)phenyl]acetamide

N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-2-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 177380087) has the molecular formula C20H15F6N3O and a molecular weight of 427.35 g/mol. Its IUPAC name is N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-2-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-2-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID177380087
Molecular FormulaC20H15F6N3O
Molecular Weight427.35 g/mol
Exact Mass427.11
IUPAC NameN-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-2-[2-(trifluoromethyl)phenyl]acetamide
SMILESCc1cn(-c2cc(NC(=O)Cc3ccccc3C(F)(F)F)cc(C(F)(F)F)c2)cn1
InChIInChI=1S/C20H15F6N3O/c1-12-10-29(11-27-12)16-8-14(19(21,22)23)7-15(9-16)28-18(30)6-13-4-2-3-5-17(13)20(24,25)26/h2-5,7-11H,6H2,1H3,(H,28,30)
InChIKeyKHHLGHGPSGLOPI-UHFFFAOYSA-N
XLogP5.40
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.35
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide
CID 141158553
2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide
CID 167820655
3,4-dimethyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide;ethane
CID 162361882
4-butyl-3-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide
CID 165142665
N-tert-butyl-3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)aniline
CID 166898562
2-[4-(benzimidazol-1-yl)phenyl]-N-[3-(diethylaminomethyl)-5-(trifluoromethyl)phenyl]acetamide;2-(4-imidazo[4,5-b]pyridin-3-ylphenyl)-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]acetamide
CID 161266559
2-[2-methoxy-4-[[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 166400672
N-hydroxy-3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)benzamide
CID 122698167
N-[4-(4-methylimidazol-1-yl)phenyl]-2-phenylacetamide
CID 139426275
4-(difluoromethyl)-3-formyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide
CID 167436045
4-[[4-(4-methylimidazol-1-yl)pyrimidin-2-yl]amino]-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide
CID 68852194
N-[3,5-bis(trifluoromethyl)phenyl]-2-(2-hydroxyphenyl)acetamide
CID 60620663

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-2-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-2-[2-(trifluoromethyl)phenyl]acetamide (CID 177380087) is N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-2-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-2-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-2-[2-(trifluoromethyl)phenyl]acetamide is Cc1cn(-c2cc(NC(=O)Cc3ccccc3C(F)(F)F)cc(C(F)(F)F)c2)cn1.
What is the InChIKey of N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-2-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is KHHLGHGPSGLOPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F6N3O/c1-12-10-29(11-27-12)16-8-14(19(21,22)23)7-15(9-16)28-18(30)6-13-4-2-3-5-17(13)20(24,25)26/h2-5,7-11H,6H2,1H3,(H,28,30).
What are the key properties of N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-2-[2-(trifluoromethyl)phenyl]acetamide?
N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-2-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 427.35 g/mol, XLogP of 5.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-2-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 177380087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).