[1-(2-chloro-4-fluorobenzoyl)piperidin-4-yl]-(4-fluorophenyl)methanone

C19H16ClF2NO2 — CID 46906255

IUPAC[1-(2-chloro-4-fluorobenzoyl)piperidin-4-yl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)C1CCN(C(=O)c2ccc(F)cc2Cl)CC1
InChIInChI=1S/C19H16ClF2NO2/c20-17-11-15(22)5-6-16(17)19(25)23-9-7-13(8-10-23)18(24)12-1-3-14(21)4-2-12/h1-6,11,13H,7-10H2
InChIKeyIOOPIIMCRMNFAG-UHFFFAOYSA-N
MW363.79 g/mol
LogP4.35
Rot. Bonds3

About [1-(2-chloro-4-fluorobenzoyl)piperidin-4-yl]-(4-fluorophenyl)methanone

[1-(2-chloro-4-fluorobenzoyl)piperidin-4-yl]-(4-fluorophenyl)methanone (PubChem CID 46906255) has the molecular formula C19H16ClF2NO2 and a molecular weight of 363.79 g/mol. Its IUPAC name is [1-(2-chloro-4-fluorobenzoyl)piperidin-4-yl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[1-(2-chloro-4-fluorobenzoyl)piperidin-4-yl]-(4-fluorophenyl)methanone
PubChem CID46906255
Molecular FormulaC19H16ClF2NO2
Molecular Weight363.79 g/mol
Exact Mass363.08
IUPAC Name[1-(2-chloro-4-fluorobenzoyl)piperidin-4-yl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)C1CCN(C(=O)c2ccc(F)cc2Cl)CC1
InChIInChI=1S/C19H16ClF2NO2/c20-17-11-15(22)5-6-16(17)19(25)23-9-7-13(8-10-23)18(24)12-1-3-14(21)4-2-12/h1-6,11,13H,7-10H2
InChIKeyIOOPIIMCRMNFAG-UHFFFAOYSA-N
XLogP4.35
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.79
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(2-chloro-4-fluorobenzoyl)piperidin-4-yl]-(4-fluorophenyl)methanone?
The IUPAC name of [1-(2-chloro-4-fluorobenzoyl)piperidin-4-yl]-(4-fluorophenyl)methanone (CID 46906255) is [1-(2-chloro-4-fluorobenzoyl)piperidin-4-yl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [1-(2-chloro-4-fluorobenzoyl)piperidin-4-yl]-(4-fluorophenyl)methanone?
The canonical SMILES for [1-(2-chloro-4-fluorobenzoyl)piperidin-4-yl]-(4-fluorophenyl)methanone is O=C(c1ccc(F)cc1)C1CCN(C(=O)c2ccc(F)cc2Cl)CC1.
What is the InChIKey of [1-(2-chloro-4-fluorobenzoyl)piperidin-4-yl]-(4-fluorophenyl)methanone?
The InChIKey is IOOPIIMCRMNFAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClF2NO2/c20-17-11-15(22)5-6-16(17)19(25)23-9-7-13(8-10-23)18(24)12-1-3-14(21)4-2-12/h1-6,11,13H,7-10H2.
What are the key properties of [1-(2-chloro-4-fluorobenzoyl)piperidin-4-yl]-(4-fluorophenyl)methanone?
[1-(2-chloro-4-fluorobenzoyl)piperidin-4-yl]-(4-fluorophenyl)methanone has a molecular weight of 363.79 g/mol, XLogP of 4.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-chloro-4-fluorobenzoyl)piperidin-4-yl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 46906255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).