N-[(2-chloro-4-fluorophenyl)methyl]-2-[2-(2,4-difluorophenyl)-3-ethyl-5-methylimidazol-4-yl]acetamide

C21H19ClF3N3O — CID 56666425

IUPACN-[(2-chloro-4-fluorophenyl)methyl]-2-[2-(2,4-difluorophenyl)-3-ethyl-5-methylimidazol-4-yl]acetamide
SMILESCCn1c(-c2ccc(F)cc2F)nc(C)c1CC(=O)NCc1ccc(F)cc1Cl
InChIInChI=1S/C21H19ClF3N3O/c1-3-28-19(10-20(29)26-11-13-4-5-14(23)8-17(13)22)12(2)27-21(28)16-7-6-15(24)9-18(16)25/h4-9H,3,10-11H2,1-2H3,(H,26,29)
InChIKeyFBBLFPVYNGTOEN-UHFFFAOYSA-N
MW421.85 g/mol
LogP4.81
Rot. Bonds6

About N-[(2-chloro-4-fluorophenyl)methyl]-2-[2-(2,4-difluorophenyl)-3-ethyl-5-methylimidazol-4-yl]acetamide

N-[(2-chloro-4-fluorophenyl)methyl]-2-[2-(2,4-difluorophenyl)-3-ethyl-5-methylimidazol-4-yl]acetamide (PubChem CID 56666425) has the molecular formula C21H19ClF3N3O and a molecular weight of 421.85 g/mol. Its IUPAC name is N-[(2-chloro-4-fluorophenyl)methyl]-2-[2-(2,4-difluorophenyl)-3-ethyl-5-methylimidazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[(2-chloro-4-fluorophenyl)methyl]-2-[2-(2,4-difluorophenyl)-3-ethyl-5-methylimidazol-4-yl]acetamide
PubChem CID56666425
Molecular FormulaC21H19ClF3N3O
Molecular Weight421.85 g/mol
Exact Mass421.12
IUPAC NameN-[(2-chloro-4-fluorophenyl)methyl]-2-[2-(2,4-difluorophenyl)-3-ethyl-5-methylimidazol-4-yl]acetamide
SMILESCCn1c(-c2ccc(F)cc2F)nc(C)c1CC(=O)NCc1ccc(F)cc1Cl
InChIInChI=1S/C21H19ClF3N3O/c1-3-28-19(10-20(29)26-11-13-4-5-14(23)8-17(13)22)12(2)27-21(28)16-7-6-15(24)9-18(16)25/h4-9H,3,10-11H2,1-2H3,(H,26,29)
InChIKeyFBBLFPVYNGTOEN-UHFFFAOYSA-N
XLogP4.81
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.85
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4-fluorophenyl)methyl]-2-[2-(2,4-difluorophenyl)-3-ethyl-5-methylimidazol-4-yl]acetamide?
The IUPAC name of N-[(2-chloro-4-fluorophenyl)methyl]-2-[2-(2,4-difluorophenyl)-3-ethyl-5-methylimidazol-4-yl]acetamide (CID 56666425) is N-[(2-chloro-4-fluorophenyl)methyl]-2-[2-(2,4-difluorophenyl)-3-ethyl-5-methylimidazol-4-yl]acetamide.
What is the SMILES notation for N-[(2-chloro-4-fluorophenyl)methyl]-2-[2-(2,4-difluorophenyl)-3-ethyl-5-methylimidazol-4-yl]acetamide?
The canonical SMILES for N-[(2-chloro-4-fluorophenyl)methyl]-2-[2-(2,4-difluorophenyl)-3-ethyl-5-methylimidazol-4-yl]acetamide is CCn1c(-c2ccc(F)cc2F)nc(C)c1CC(=O)NCc1ccc(F)cc1Cl.
What is the InChIKey of N-[(2-chloro-4-fluorophenyl)methyl]-2-[2-(2,4-difluorophenyl)-3-ethyl-5-methylimidazol-4-yl]acetamide?
The InChIKey is FBBLFPVYNGTOEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClF3N3O/c1-3-28-19(10-20(29)26-11-13-4-5-14(23)8-17(13)22)12(2)27-21(28)16-7-6-15(24)9-18(16)25/h4-9H,3,10-11H2,1-2H3,(H,26,29).
What are the key properties of N-[(2-chloro-4-fluorophenyl)methyl]-2-[2-(2,4-difluorophenyl)-3-ethyl-5-methylimidazol-4-yl]acetamide?
N-[(2-chloro-4-fluorophenyl)methyl]-2-[2-(2,4-difluorophenyl)-3-ethyl-5-methylimidazol-4-yl]acetamide has a molecular weight of 421.85 g/mol, XLogP of 4.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-4-fluorophenyl)methyl]-2-[2-(2,4-difluorophenyl)-3-ethyl-5-methylimidazol-4-yl]acetamide is sourced from PubChem (CID 56666425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).