N-[(2-chloro-4-fluorophenyl)methyl]-2-[2-(2,4-difluorophenyl)-3,5-dimethylimidazol-4-yl]acetamide;hydrochloride

C20H18Cl2F3N3O — CID 56662910

IUPACN-[(2-chloro-4-fluorophenyl)methyl]-2-[2-(2,4-difluorophenyl)-3,5-dimethylimidazol-4-yl]acetamide;hydrochloride
SMILESCc1nc(-c2ccc(F)cc2F)n(C)c1CC(=O)NCc1ccc(F)cc1Cl.Cl
InChIInChI=1S/C20H17ClF3N3O.ClH/c1-11-18(9-19(28)25-10-12-3-4-13(22)7-16(12)21)27(2)20(26-11)15-6-5-14(23)8-17(15)24;/h3-8H,9-10H2,1-2H3,(H,25,28);1H
InChIKeyPTCZOYHYJOCZIS-UHFFFAOYSA-N
MW444.28 g/mol
LogP4.75
Rot. Bonds5

About N-[(2-chloro-4-fluorophenyl)methyl]-2-[2-(2,4-difluorophenyl)-3,5-dimethylimidazol-4-yl]acetamide;hydrochloride

N-[(2-chloro-4-fluorophenyl)methyl]-2-[2-(2,4-difluorophenyl)-3,5-dimethylimidazol-4-yl]acetamide;hydrochloride (PubChem CID 56662910) has the molecular formula C20H18Cl2F3N3O and a molecular weight of 444.28 g/mol. Its IUPAC name is N-[(2-chloro-4-fluorophenyl)methyl]-2-[2-(2,4-difluorophenyl)-3,5-dimethylimidazol-4-yl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[(2-chloro-4-fluorophenyl)methyl]-2-[2-(2,4-difluorophenyl)-3,5-dimethylimidazol-4-yl]acetamide;hydrochloride
PubChem CID56662910
Molecular FormulaC20H18Cl2F3N3O
Molecular Weight444.28 g/mol
Exact Mass443.08
IUPAC NameN-[(2-chloro-4-fluorophenyl)methyl]-2-[2-(2,4-difluorophenyl)-3,5-dimethylimidazol-4-yl]acetamide;hydrochloride
SMILESCc1nc(-c2ccc(F)cc2F)n(C)c1CC(=O)NCc1ccc(F)cc1Cl.Cl
InChIInChI=1S/C20H17ClF3N3O.ClH/c1-11-18(9-19(28)25-10-12-3-4-13(22)7-16(12)21)27(2)20(26-11)15-6-5-14(23)8-17(15)24;/h3-8H,9-10H2,1-2H3,(H,25,28);1H
InChIKeyPTCZOYHYJOCZIS-UHFFFAOYSA-N
XLogP4.75
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.28
LogP ≤ 54.75
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)-3,5-dimethylimidazol-4-yl]acetamide;hydrochloride?
The IUPAC name of N-[(2-chloro-4-fluorophenyl)methyl]-2-[2-(2,4-difluorophenyl)-3,5-dimethylimidazol-4-yl]acetamide;hydrochloride (CID 56662910) is N-[(2-chloro-4-fluorophenyl)methyl]-2-[2-(2,4-difluorophenyl)-3,5-dimethylimidazol-4-yl]acetamide;hydrochloride.
What is the SMILES notation for N-[(2-chloro-4-fluorophenyl)methyl]-2-[2-(2,4-difluorophenyl)-3,5-dimethylimidazol-4-yl]acetamide;hydrochloride?
The canonical SMILES for N-[(2-chloro-4-fluorophenyl)methyl]-2-[2-(2,4-difluorophenyl)-3,5-dimethylimidazol-4-yl]acetamide;hydrochloride is Cc1nc(-c2ccc(F)cc2F)n(C)c1CC(=O)NCc1ccc(F)cc1Cl.Cl.
What is the InChIKey of N-[(2-chloro-4-fluorophenyl)methyl]-2-[2-(2,4-difluorophenyl)-3,5-dimethylimidazol-4-yl]acetamide;hydrochloride?
The InChIKey is PTCZOYHYJOCZIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClF3N3O.ClH/c1-11-18(9-19(28)25-10-12-3-4-13(22)7-16(12)21)27(2)20(26-11)15-6-5-14(23)8-17(15)24;/h3-8H,9-10H2,1-2H3,(H,25,28);1H.
What are the key properties of N-[(2-chloro-4-fluorophenyl)methyl]-2-[2-(2,4-difluorophenyl)-3,5-dimethylimidazol-4-yl]acetamide;hydrochloride?
N-[(2-chloro-4-fluorophenyl)methyl]-2-[2-(2,4-difluorophenyl)-3,5-dimethylimidazol-4-yl]acetamide;hydrochloride has a molecular weight of 444.28 g/mol, XLogP of 4.75, 5 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)-3,5-dimethylimidazol-4-yl]acetamide;hydrochloride is sourced from PubChem (CID 56662910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).