N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(1H-imidazol-5-yl)acetamide

C12H9ClF3N3O — CID 110684225

IUPACN-[4-chloro-2-(trifluoromethyl)phenyl]-2-(1H-imidazol-5-yl)acetamide
SMILESO=C(Cc1cnc[nH]1)Nc1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C12H9ClF3N3O/c13-7-1-2-10(9(3-7)12(14,15)16)19-11(20)4-8-5-17-6-18-8/h1-3,5-6H,4H2,(H,17,18)(H,19,20)
InChIKeySBGIURYTGLVPHS-UHFFFAOYSA-N
MW303.67 g/mol
LogP3.26
Rot. Bonds3

About N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(1H-imidazol-5-yl)acetamide

N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(1H-imidazol-5-yl)acetamide (PubChem CID 110684225) has the molecular formula C12H9ClF3N3O and a molecular weight of 303.67 g/mol. Its IUPAC name is N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(1H-imidazol-5-yl)acetamide.

Molecular Properties

Compound NameN-[4-chloro-2-(trifluoromethyl)phenyl]-2-(1H-imidazol-5-yl)acetamide
PubChem CID110684225
Molecular FormulaC12H9ClF3N3O
Molecular Weight303.67 g/mol
Exact Mass303.04
IUPAC NameN-[4-chloro-2-(trifluoromethyl)phenyl]-2-(1H-imidazol-5-yl)acetamide
SMILESO=C(Cc1cnc[nH]1)Nc1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C12H9ClF3N3O/c13-7-1-2-10(9(3-7)12(14,15)16)19-11(20)4-8-5-17-6-18-8/h1-3,5-6H,4H2,(H,17,18)(H,19,20)
InChIKeySBGIURYTGLVPHS-UHFFFAOYSA-N
XLogP3.26
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.67
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(2,4-dioxo-1H-pyrimidin-6-yl)acetamide
CID 110700152
N-(2-tert-butylphenyl)-2-(1H-imidazol-5-yl)acetamide
CID 110684157
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(1H-indol-3-yl)acetamide
CID 113098868
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(2-methylphenyl)acetamide
CID 17168115
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(propan-2-ylamino)acetamide
CID 2427329
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78915256
N-(3-chlorophenyl)-N'-[4-chloro-2-(trifluoromethyl)phenyl]propanediamide
CID 108954992
2-(4-chlorophenoxy)-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide
CID 1352117
N'-[4-chloro-2-(trifluoromethyl)phenyl]-N-(3,4-difluorophenyl)propanediamide
CID 108956825
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(pyridin-3-ylmethyl)urea
CID 4050389
2-[4-chloro-2-(trifluoromethyl)anilino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 109009727
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(2,5-dichlorophenyl)sulfanylacetamide
CID 3338455

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(1H-imidazol-5-yl)acetamide?
The IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(1H-imidazol-5-yl)acetamide (CID 110684225) is N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(1H-imidazol-5-yl)acetamide.
What is the SMILES notation for N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(1H-imidazol-5-yl)acetamide?
The canonical SMILES for N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(1H-imidazol-5-yl)acetamide is O=C(Cc1cnc[nH]1)Nc1ccc(Cl)cc1C(F)(F)F.
What is the InChIKey of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(1H-imidazol-5-yl)acetamide?
The InChIKey is SBGIURYTGLVPHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClF3N3O/c13-7-1-2-10(9(3-7)12(14,15)16)19-11(20)4-8-5-17-6-18-8/h1-3,5-6H,4H2,(H,17,18)(H,19,20).
What are the key properties of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(1H-imidazol-5-yl)acetamide?
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(1H-imidazol-5-yl)acetamide has a molecular weight of 303.67 g/mol, XLogP of 3.26, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(1H-imidazol-5-yl)acetamide is sourced from PubChem (CID 110684225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).