N-[2-chloro-6-(4-methylimidazol-1-yl)-4-(trifluoromethyl)phenyl]acetamide

C13H11ClF3N3O — CID 56648954

IUPACN-[2-chloro-6-(4-methylimidazol-1-yl)-4-(trifluoromethyl)phenyl]acetamide
SMILESCC(=O)Nc1c(Cl)cc(C(F)(F)F)cc1-n1cnc(C)c1
InChIInChI=1S/C13H11ClF3N3O/c1-7-5-20(6-18-7)11-4-9(13(15,16)17)3-10(14)12(11)19-8(2)21/h3-6H,1-2H3,(H,19,21)
InChIKeyJAQSQBDVDDBJPX-UHFFFAOYSA-N
MW317.70 g/mol
LogP3.81
Rot. Bonds2

About N-[2-chloro-6-(4-methylimidazol-1-yl)-4-(trifluoromethyl)phenyl]acetamide

N-[2-chloro-6-(4-methylimidazol-1-yl)-4-(trifluoromethyl)phenyl]acetamide (PubChem CID 56648954) has the molecular formula C13H11ClF3N3O and a molecular weight of 317.70 g/mol. Its IUPAC name is N-[2-chloro-6-(4-methylimidazol-1-yl)-4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[2-chloro-6-(4-methylimidazol-1-yl)-4-(trifluoromethyl)phenyl]acetamide
PubChem CID56648954
Molecular FormulaC13H11ClF3N3O
Molecular Weight317.70 g/mol
Exact Mass317.05
IUPAC NameN-[2-chloro-6-(4-methylimidazol-1-yl)-4-(trifluoromethyl)phenyl]acetamide
SMILESCC(=O)Nc1c(Cl)cc(C(F)(F)F)cc1-n1cnc(C)c1
InChIInChI=1S/C13H11ClF3N3O/c1-7-5-20(6-18-7)11-4-9(13(15,16)17)3-10(14)12(11)19-8(2)21/h3-6H,1-2H3,(H,19,21)
InChIKeyJAQSQBDVDDBJPX-UHFFFAOYSA-N
XLogP3.81
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.70
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-6-(4-methylimidazol-1-yl)-4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[2-chloro-6-(4-methylimidazol-1-yl)-4-(trifluoromethyl)phenyl]acetamide (CID 56648954) is N-[2-chloro-6-(4-methylimidazol-1-yl)-4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[2-chloro-6-(4-methylimidazol-1-yl)-4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[2-chloro-6-(4-methylimidazol-1-yl)-4-(trifluoromethyl)phenyl]acetamide is CC(=O)Nc1c(Cl)cc(C(F)(F)F)cc1-n1cnc(C)c1.
What is the InChIKey of N-[2-chloro-6-(4-methylimidazol-1-yl)-4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is JAQSQBDVDDBJPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClF3N3O/c1-7-5-20(6-18-7)11-4-9(13(15,16)17)3-10(14)12(11)19-8(2)21/h3-6H,1-2H3,(H,19,21).
What are the key properties of N-[2-chloro-6-(4-methylimidazol-1-yl)-4-(trifluoromethyl)phenyl]acetamide?
N-[2-chloro-6-(4-methylimidazol-1-yl)-4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 317.70 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-6-(4-methylimidazol-1-yl)-4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 56648954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).