4-(2-chloro-4-fluorophenyl)-2-(2-oxo-2-pyridin-2-ylethyl)cyclohexan-1-one

C19H17ClFNO2 — CID 58077214

IUPAC4-(2-chloro-4-fluorophenyl)-2-(2-oxo-2-pyridin-2-ylethyl)cyclohexan-1-one
SMILESO=C(CC1CC(c2ccc(F)cc2Cl)CCC1=O)c1ccccn1
InChIInChI=1S/C19H17ClFNO2/c20-16-11-14(21)5-6-15(16)12-4-7-18(23)13(9-12)10-19(24)17-3-1-2-8-22-17/h1-3,5-6,8,11-13H,4,7,9-10H2
InChIKeyRGHZTYLCVIGHPX-UHFFFAOYSA-N
MW345.80 g/mol
LogP4.60
Rot. Bonds4

About 4-(2-chloro-4-fluorophenyl)-2-(2-oxo-2-pyridin-2-ylethyl)cyclohexan-1-one

4-(2-chloro-4-fluorophenyl)-2-(2-oxo-2-pyridin-2-ylethyl)cyclohexan-1-one (PubChem CID 58077214) has the molecular formula C19H17ClFNO2 and a molecular weight of 345.80 g/mol. Its IUPAC name is 4-(2-chloro-4-fluorophenyl)-2-(2-oxo-2-pyridin-2-ylethyl)cyclohexan-1-one.

Molecular Properties

Compound Name4-(2-chloro-4-fluorophenyl)-2-(2-oxo-2-pyridin-2-ylethyl)cyclohexan-1-one
PubChem CID58077214
Molecular FormulaC19H17ClFNO2
Molecular Weight345.80 g/mol
Exact Mass345.09
IUPAC Name4-(2-chloro-4-fluorophenyl)-2-(2-oxo-2-pyridin-2-ylethyl)cyclohexan-1-one
SMILESO=C(CC1CC(c2ccc(F)cc2Cl)CCC1=O)c1ccccn1
InChIInChI=1S/C19H17ClFNO2/c20-16-11-14(21)5-6-15(16)12-4-7-18(23)13(9-12)10-19(24)17-3-1-2-8-22-17/h1-3,5-6,8,11-13H,4,7,9-10H2
InChIKeyRGHZTYLCVIGHPX-UHFFFAOYSA-N
XLogP4.60
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.80
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-4-fluorophenyl)-2-(2-oxo-2-pyridin-2-ylethyl)cyclohexan-1-one?
The IUPAC name of 4-(2-chloro-4-fluorophenyl)-2-(2-oxo-2-pyridin-2-ylethyl)cyclohexan-1-one (CID 58077214) is 4-(2-chloro-4-fluorophenyl)-2-(2-oxo-2-pyridin-2-ylethyl)cyclohexan-1-one.
What is the SMILES notation for 4-(2-chloro-4-fluorophenyl)-2-(2-oxo-2-pyridin-2-ylethyl)cyclohexan-1-one?
The canonical SMILES for 4-(2-chloro-4-fluorophenyl)-2-(2-oxo-2-pyridin-2-ylethyl)cyclohexan-1-one is O=C(CC1CC(c2ccc(F)cc2Cl)CCC1=O)c1ccccn1.
What is the InChIKey of 4-(2-chloro-4-fluorophenyl)-2-(2-oxo-2-pyridin-2-ylethyl)cyclohexan-1-one?
The InChIKey is RGHZTYLCVIGHPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClFNO2/c20-16-11-14(21)5-6-15(16)12-4-7-18(23)13(9-12)10-19(24)17-3-1-2-8-22-17/h1-3,5-6,8,11-13H,4,7,9-10H2.
What are the key properties of 4-(2-chloro-4-fluorophenyl)-2-(2-oxo-2-pyridin-2-ylethyl)cyclohexan-1-one?
4-(2-chloro-4-fluorophenyl)-2-(2-oxo-2-pyridin-2-ylethyl)cyclohexan-1-one has a molecular weight of 345.80 g/mol, XLogP of 4.60, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-4-fluorophenyl)-2-(2-oxo-2-pyridin-2-ylethyl)cyclohexan-1-one is sourced from PubChem (CID 58077214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).