2-(4-chloro-2-methylphenoxy)-N-(3-fluoro-4-imidazol-1-ylphenyl)acetamide

C18H15ClFN3O2 — CID 55856249

IUPAC2-(4-chloro-2-methylphenoxy)-N-(3-fluoro-4-imidazol-1-ylphenyl)acetamide
SMILESCc1cc(Cl)ccc1OCC(=O)Nc1ccc(-n2ccnc2)c(F)c1
InChIInChI=1S/C18H15ClFN3O2/c1-12-8-13(19)2-5-17(12)25-10-18(24)22-14-3-4-16(15(20)9-14)23-7-6-21-11-23/h2-9,11H,10H2,1H3,(H,22,24)
InChIKeyDXMLHWHAXXFEFW-UHFFFAOYSA-N
MW359.79 g/mol
LogP3.99
Rot. Bonds5

About 2-(4-chloro-2-methylphenoxy)-N-(3-fluoro-4-imidazol-1-ylphenyl)acetamide

2-(4-chloro-2-methylphenoxy)-N-(3-fluoro-4-imidazol-1-ylphenyl)acetamide (PubChem CID 55856249) has the molecular formula C18H15ClFN3O2 and a molecular weight of 359.79 g/mol. Its IUPAC name is 2-(4-chloro-2-methylphenoxy)-N-(3-fluoro-4-imidazol-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-2-methylphenoxy)-N-(3-fluoro-4-imidazol-1-ylphenyl)acetamide
PubChem CID55856249
Molecular FormulaC18H15ClFN3O2
Molecular Weight359.79 g/mol
Exact Mass359.08
IUPAC Name2-(4-chloro-2-methylphenoxy)-N-(3-fluoro-4-imidazol-1-ylphenyl)acetamide
SMILESCc1cc(Cl)ccc1OCC(=O)Nc1ccc(-n2ccnc2)c(F)c1
InChIInChI=1S/C18H15ClFN3O2/c1-12-8-13(19)2-5-17(12)25-10-18(24)22-14-3-4-16(15(20)9-14)23-7-6-21-11-23/h2-9,11H,10H2,1H3,(H,22,24)
InChIKeyDXMLHWHAXXFEFW-UHFFFAOYSA-N
XLogP3.99
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.79
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-4-fluorophenyl)-2-(4-chloro-2-methylphenoxy)acetamide
CID 29036010
2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N-(4-fluorophenyl)acetamide
CID 8709029
N-(4-aminophenyl)-2-(4-chloro-2-methylphenoxy)acetamide
CID 16789348
[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate
CID 8021076
N-(3-chloro-4-fluorophenyl)-2-(2,4-dimethylphenoxy)acetamide
CID 800993
2-(4-chloro-2-methylphenoxy)-N-(2,4-difluorophenyl)acetamide
CID 3945608
N-[4-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-2-(4-chloro-2-methylphenoxy)acetamide
CID 4021519
2-(4-chloro-2-methylphenoxy)-N-(1-methylpyrazol-4-yl)acetamide
CID 31921139
N-(3-fluoro-4-imidazol-1-ylphenyl)-3,4,5-trimethoxybenzamide
CID 47059878
N-(3-amino-4-methoxyphenyl)-2-(4-chloro-2-methylphenoxy)acetamide
CID 50878679
N-(4-chlorophenyl)-2-[4-methyl-2-(1,2,4-triazol-4-yl)phenoxy]acetamide
CID 39890141
2-(2-imidazol-1-ylphenoxy)-N-(2-methylphenyl)acetamide
CID 166221787

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-(3-fluoro-4-imidazol-1-ylphenyl)acetamide?
The IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-(3-fluoro-4-imidazol-1-ylphenyl)acetamide (CID 55856249) is 2-(4-chloro-2-methylphenoxy)-N-(3-fluoro-4-imidazol-1-ylphenyl)acetamide.
What is the SMILES notation for 2-(4-chloro-2-methylphenoxy)-N-(3-fluoro-4-imidazol-1-ylphenyl)acetamide?
The canonical SMILES for 2-(4-chloro-2-methylphenoxy)-N-(3-fluoro-4-imidazol-1-ylphenyl)acetamide is Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(-n2ccnc2)c(F)c1.
What is the InChIKey of 2-(4-chloro-2-methylphenoxy)-N-(3-fluoro-4-imidazol-1-ylphenyl)acetamide?
The InChIKey is DXMLHWHAXXFEFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFN3O2/c1-12-8-13(19)2-5-17(12)25-10-18(24)22-14-3-4-16(15(20)9-14)23-7-6-21-11-23/h2-9,11H,10H2,1H3,(H,22,24).
What are the key properties of 2-(4-chloro-2-methylphenoxy)-N-(3-fluoro-4-imidazol-1-ylphenyl)acetamide?
2-(4-chloro-2-methylphenoxy)-N-(3-fluoro-4-imidazol-1-ylphenyl)acetamide has a molecular weight of 359.79 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylphenoxy)-N-(3-fluoro-4-imidazol-1-ylphenyl)acetamide is sourced from PubChem (CID 55856249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).