1-(3-chloro-4-fluorophenyl)-2-(1-ethylimidazol-2-yl)ethanone

C13H12ClFN2O — CID 79743921

IUPAC1-(3-chloro-4-fluorophenyl)-2-(1-ethylimidazol-2-yl)ethanone
SMILESCCn1ccnc1CC(=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C13H12ClFN2O/c1-2-17-6-5-16-13(17)8-12(18)9-3-4-11(15)10(14)7-9/h3-7H,2,8H2,1H3
InChIKeyFIDQRHNETQVQNX-UHFFFAOYSA-N
MW266.70 g/mol
LogP3.12
Rot. Bonds4

About 1-(3-chloro-4-fluorophenyl)-2-(1-ethylimidazol-2-yl)ethanone

1-(3-chloro-4-fluorophenyl)-2-(1-ethylimidazol-2-yl)ethanone (PubChem CID 79743921) has the molecular formula C13H12ClFN2O and a molecular weight of 266.70 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-2-(1-ethylimidazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-2-(1-ethylimidazol-2-yl)ethanone
PubChem CID79743921
Molecular FormulaC13H12ClFN2O
Molecular Weight266.70 g/mol
Exact Mass266.06
IUPAC Name1-(3-chloro-4-fluorophenyl)-2-(1-ethylimidazol-2-yl)ethanone
SMILESCCn1ccnc1CC(=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C13H12ClFN2O/c1-2-17-6-5-16-13(17)8-12(18)9-3-4-11(15)10(14)7-9/h3-7H,2,8H2,1H3
InChIKeyFIDQRHNETQVQNX-UHFFFAOYSA-N
XLogP3.12
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.70
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-difluorophenyl)-2-(1-ethylimidazol-2-yl)ethanone
CID 79744270
2-(1-ethylimidazol-2-yl)-1-(4-fluoro-3-methoxyphenyl)ethanone
CID 115783615
1-(4-amino-3-fluorophenyl)-2-(1-ethylimidazol-2-yl)ethanone
CID 116547180
1-(3-chlorophenyl)-2-(1-ethylimidazol-2-yl)ethanone
CID 79744909
2-(1-ethylimidazol-2-yl)-1-(4-iodophenyl)ethanone
CID 115783583
1-(2,6-dichlorophenyl)-2-(1-ethylimidazol-2-yl)ethanone
CID 115783517
1-(3-bromo-4-methylphenyl)-2-(1-ethylimidazol-2-yl)ethanone
CID 115783528
1-(4-bromo-3-chlorophenyl)-2-(1-propylimidazol-2-yl)ethanone
CID 115784801
1-(4-fluoro-3-methoxyphenyl)-2-(1-propylimidazol-2-yl)ethanone
CID 115784828
1-(4-chloro-3-fluorophenyl)-2-(1-methylimidazol-2-yl)ethanone
CID 107996510
2-(1-ethylimidazol-2-yl)-1-(4-fluoro-2-methylphenyl)ethanone
CID 81274194
1-[3-(difluoromethoxy)phenyl]-2-(1-ethylimidazol-2-yl)ethanone
CID 115783554

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-2-(1-ethylimidazol-2-yl)ethanone?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-2-(1-ethylimidazol-2-yl)ethanone (CID 79743921) is 1-(3-chloro-4-fluorophenyl)-2-(1-ethylimidazol-2-yl)ethanone.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-2-(1-ethylimidazol-2-yl)ethanone?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-2-(1-ethylimidazol-2-yl)ethanone is CCn1ccnc1CC(=O)c1ccc(F)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-2-(1-ethylimidazol-2-yl)ethanone?
The InChIKey is FIDQRHNETQVQNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN2O/c1-2-17-6-5-16-13(17)8-12(18)9-3-4-11(15)10(14)7-9/h3-7H,2,8H2,1H3.
What are the key properties of 1-(3-chloro-4-fluorophenyl)-2-(1-ethylimidazol-2-yl)ethanone?
1-(3-chloro-4-fluorophenyl)-2-(1-ethylimidazol-2-yl)ethanone has a molecular weight of 266.70 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)-2-(1-ethylimidazol-2-yl)ethanone is sourced from PubChem (CID 79743921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).