1-[2-chloro-4-(4-chlorophenoxy)phenyl]-2-(5-fluoroimidazol-1-yl)ethanone

C17H11Cl2FN2O2 — CID 142752571

IUPAC1-[2-chloro-4-(4-chlorophenoxy)phenyl]-2-(5-fluoroimidazol-1-yl)ethanone
SMILESO=C(Cn1cncc1F)c1ccc(Oc2ccc(Cl)cc2)cc1Cl
InChIInChI=1S/C17H11Cl2FN2O2/c18-11-1-3-12(4-2-11)24-13-5-6-14(15(19)7-13)16(23)9-22-10-21-8-17(22)20/h1-8,10H,9H2
InChIKeyIFVKRFGVZDNQMP-UHFFFAOYSA-N
MW365.19 g/mol
LogP5.00
Rot. Bonds5

About 1-[2-chloro-4-(4-chlorophenoxy)phenyl]-2-(5-fluoroimidazol-1-yl)ethanone

1-[2-chloro-4-(4-chlorophenoxy)phenyl]-2-(5-fluoroimidazol-1-yl)ethanone (PubChem CID 142752571) has the molecular formula C17H11Cl2FN2O2 and a molecular weight of 365.19 g/mol. Its IUPAC name is 1-[2-chloro-4-(4-chlorophenoxy)phenyl]-2-(5-fluoroimidazol-1-yl)ethanone.

Molecular Properties

Compound Name1-[2-chloro-4-(4-chlorophenoxy)phenyl]-2-(5-fluoroimidazol-1-yl)ethanone
PubChem CID142752571
Molecular FormulaC17H11Cl2FN2O2
Molecular Weight365.19 g/mol
Exact Mass364.02
IUPAC Name1-[2-chloro-4-(4-chlorophenoxy)phenyl]-2-(5-fluoroimidazol-1-yl)ethanone
SMILESO=C(Cn1cncc1F)c1ccc(Oc2ccc(Cl)cc2)cc1Cl
InChIInChI=1S/C17H11Cl2FN2O2/c18-11-1-3-12(4-2-11)24-13-5-6-14(15(19)7-13)16(23)9-22-10-21-8-17(22)20/h1-8,10H,9H2
InChIKeyIFVKRFGVZDNQMP-UHFFFAOYSA-N
XLogP5.00
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.19
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-chloro-4-(4-chlorophenoxy)phenyl]-2-(4-methylpiperazin-1-yl)ethanone
CID 170861732
1-[2-chloro-4-(4-chlorophenoxy)phenyl]ethanone
CID 677479
(3R)-4,4,4-trichloro-1-[2-chloro-4-(4-chlorophenoxy)phenyl]-3-[4-[(2R)-1,1,1-trichloro-4-[2-chloro-4-(4-chlorophenoxy)phenyl]-4-oxobutan-2-yl]piperazin-1-yl]butan-1-one
CID 99687824
2-chloro-4-(4-chloro-3-fluorophenoxy)benzoic acid
CID 82726948
methyl 1-[2-(4-chlorophenyl)-2-oxoethyl]-6-oxopyrimidine-5-carboxylate
CID 95921246
2-chloro-4-(3-chloro-4-fluorophenoxy)-1-fluorobenzene
CID 69010329
1-[2-chloro-4-(2,4,6-trimethylphenoxy)phenyl]-2-(1,2,4-triazol-1-yl)ethanone
CID 90161958
1-[2-chloro-6-(4-chlorophenoxy)-3-pyridinyl]-2-(1,2,4-triazol-1-yl)ethanone
CID 134366643
2-[4-(3-chloro-4-fluorophenoxy)phenyl]ethanol
CID 71236598
2-chloro-4-(3-fluoro-4-methylphenoxy)benzoic acid
CID 107171000
4-(3-chloro-4-fluorophenoxy)benzaldehyde
CID 63877798
(2-chloro-4-phenoxyphenyl)-pyridin-3-ylmethanone
CID 175689937

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-4-(4-chlorophenoxy)phenyl]-2-(5-fluoroimidazol-1-yl)ethanone?
The IUPAC name of 1-[2-chloro-4-(4-chlorophenoxy)phenyl]-2-(5-fluoroimidazol-1-yl)ethanone (CID 142752571) is 1-[2-chloro-4-(4-chlorophenoxy)phenyl]-2-(5-fluoroimidazol-1-yl)ethanone.
What is the SMILES notation for 1-[2-chloro-4-(4-chlorophenoxy)phenyl]-2-(5-fluoroimidazol-1-yl)ethanone?
The canonical SMILES for 1-[2-chloro-4-(4-chlorophenoxy)phenyl]-2-(5-fluoroimidazol-1-yl)ethanone is O=C(Cn1cncc1F)c1ccc(Oc2ccc(Cl)cc2)cc1Cl.
What is the InChIKey of 1-[2-chloro-4-(4-chlorophenoxy)phenyl]-2-(5-fluoroimidazol-1-yl)ethanone?
The InChIKey is IFVKRFGVZDNQMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl2FN2O2/c18-11-1-3-12(4-2-11)24-13-5-6-14(15(19)7-13)16(23)9-22-10-21-8-17(22)20/h1-8,10H,9H2.
What are the key properties of 1-[2-chloro-4-(4-chlorophenoxy)phenyl]-2-(5-fluoroimidazol-1-yl)ethanone?
1-[2-chloro-4-(4-chlorophenoxy)phenyl]-2-(5-fluoroimidazol-1-yl)ethanone has a molecular weight of 365.19 g/mol, XLogP of 5.00, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-4-(4-chlorophenoxy)phenyl]-2-(5-fluoroimidazol-1-yl)ethanone is sourced from PubChem (CID 142752571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).