6-[1-(3-chloro-4-fluorophenyl)pentyl]-3-cyclopropyl-1H-pyridin-2-one

C19H21ClFNO — CID 70836363

IUPAC6-[1-(3-chloro-4-fluorophenyl)pentyl]-3-cyclopropyl-1H-pyridin-2-one
SMILESCCCCC(c1ccc(F)c(Cl)c1)c1ccc(C2CC2)c(=O)[nH]1
InChIInChI=1S/C19H21ClFNO/c1-2-3-4-14(13-7-9-17(21)16(20)11-13)18-10-8-15(12-5-6-12)19(23)22-18/h7-12,14H,2-6H2,1H3,(H,22,23)
InChIKeyJCERXQZLWYCIFM-UHFFFAOYSA-N
MW333.83 g/mol
LogP5.37
Rot. Bonds6

About 6-[1-(3-chloro-4-fluorophenyl)pentyl]-3-cyclopropyl-1H-pyridin-2-one

6-[1-(3-chloro-4-fluorophenyl)pentyl]-3-cyclopropyl-1H-pyridin-2-one (PubChem CID 70836363) has the molecular formula C19H21ClFNO and a molecular weight of 333.83 g/mol. Its IUPAC name is 6-[1-(3-chloro-4-fluorophenyl)pentyl]-3-cyclopropyl-1H-pyridin-2-one.

Molecular Properties

Compound Name6-[1-(3-chloro-4-fluorophenyl)pentyl]-3-cyclopropyl-1H-pyridin-2-one
PubChem CID70836363
Molecular FormulaC19H21ClFNO
Molecular Weight333.83 g/mol
Exact Mass333.13
IUPAC Name6-[1-(3-chloro-4-fluorophenyl)pentyl]-3-cyclopropyl-1H-pyridin-2-one
SMILESCCCCC(c1ccc(F)c(Cl)c1)c1ccc(C2CC2)c(=O)[nH]1
InChIInChI=1S/C19H21ClFNO/c1-2-3-4-14(13-7-9-17(21)16(20)11-13)18-10-8-15(12-5-6-12)19(23)22-18/h7-12,14H,2-6H2,1H3,(H,22,23)
InChIKeyJCERXQZLWYCIFM-UHFFFAOYSA-N
XLogP5.37
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.83
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-[1-(3-chloro-4-fluorophenyl)pentyl]-3-cyclopropyl-1H-pyridin-2-one?
The IUPAC name of 6-[1-(3-chloro-4-fluorophenyl)pentyl]-3-cyclopropyl-1H-pyridin-2-one (CID 70836363) is 6-[1-(3-chloro-4-fluorophenyl)pentyl]-3-cyclopropyl-1H-pyridin-2-one.
What is the SMILES notation for 6-[1-(3-chloro-4-fluorophenyl)pentyl]-3-cyclopropyl-1H-pyridin-2-one?
The canonical SMILES for 6-[1-(3-chloro-4-fluorophenyl)pentyl]-3-cyclopropyl-1H-pyridin-2-one is CCCCC(c1ccc(F)c(Cl)c1)c1ccc(C2CC2)c(=O)[nH]1.
What is the InChIKey of 6-[1-(3-chloro-4-fluorophenyl)pentyl]-3-cyclopropyl-1H-pyridin-2-one?
The InChIKey is JCERXQZLWYCIFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClFNO/c1-2-3-4-14(13-7-9-17(21)16(20)11-13)18-10-8-15(12-5-6-12)19(23)22-18/h7-12,14H,2-6H2,1H3,(H,22,23).
What are the key properties of 6-[1-(3-chloro-4-fluorophenyl)pentyl]-3-cyclopropyl-1H-pyridin-2-one?
6-[1-(3-chloro-4-fluorophenyl)pentyl]-3-cyclopropyl-1H-pyridin-2-one has a molecular weight of 333.83 g/mol, XLogP of 5.37, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(3-chloro-4-fluorophenyl)pentyl]-3-cyclopropyl-1H-pyridin-2-one is sourced from PubChem (CID 70836363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).