3-(2-chloro-6-fluorophenyl)-1-(5-chloro-1-propan-2-ylpyrrol-2-yl)propan-1-one

C16H16Cl2FNO — CID 146724838

IUPAC3-(2-chloro-6-fluorophenyl)-1-(5-chloro-1-propan-2-ylpyrrol-2-yl)propan-1-one
SMILESCC(C)n1c(Cl)ccc1C(=O)CCc1c(F)cccc1Cl
InChIInChI=1S/C16H16Cl2FNO/c1-10(2)20-14(7-9-16(20)18)15(21)8-6-11-12(17)4-3-5-13(11)19/h3-5,7,9-10H,6,8H2,1-2H3
InChIKeyRGDXWHOSHXJSDT-UHFFFAOYSA-N
MW328.21 g/mol
LogP5.33
Rot. Bonds5

About 3-(2-chloro-6-fluorophenyl)-1-(5-chloro-1-propan-2-ylpyrrol-2-yl)propan-1-one

3-(2-chloro-6-fluorophenyl)-1-(5-chloro-1-propan-2-ylpyrrol-2-yl)propan-1-one (PubChem CID 146724838) has the molecular formula C16H16Cl2FNO and a molecular weight of 328.21 g/mol. Its IUPAC name is 3-(2-chloro-6-fluorophenyl)-1-(5-chloro-1-propan-2-ylpyrrol-2-yl)propan-1-one.

Molecular Properties

Compound Name3-(2-chloro-6-fluorophenyl)-1-(5-chloro-1-propan-2-ylpyrrol-2-yl)propan-1-one
PubChem CID146724838
Molecular FormulaC16H16Cl2FNO
Molecular Weight328.21 g/mol
Exact Mass327.06
IUPAC Name3-(2-chloro-6-fluorophenyl)-1-(5-chloro-1-propan-2-ylpyrrol-2-yl)propan-1-one
SMILESCC(C)n1c(Cl)ccc1C(=O)CCc1c(F)cccc1Cl
InChIInChI=1S/C16H16Cl2FNO/c1-10(2)20-14(7-9-16(20)18)15(21)8-6-11-12(17)4-3-5-13(11)19/h3-5,7,9-10H,6,8H2,1-2H3
InChIKeyRGDXWHOSHXJSDT-UHFFFAOYSA-N
XLogP5.33
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.21
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-6-fluorophenyl)-1-(5-chloro-1-propan-2-ylpyrrol-2-yl)propan-1-one?
The IUPAC name of 3-(2-chloro-6-fluorophenyl)-1-(5-chloro-1-propan-2-ylpyrrol-2-yl)propan-1-one (CID 146724838) is 3-(2-chloro-6-fluorophenyl)-1-(5-chloro-1-propan-2-ylpyrrol-2-yl)propan-1-one.
What is the SMILES notation for 3-(2-chloro-6-fluorophenyl)-1-(5-chloro-1-propan-2-ylpyrrol-2-yl)propan-1-one?
The canonical SMILES for 3-(2-chloro-6-fluorophenyl)-1-(5-chloro-1-propan-2-ylpyrrol-2-yl)propan-1-one is CC(C)n1c(Cl)ccc1C(=O)CCc1c(F)cccc1Cl.
What is the InChIKey of 3-(2-chloro-6-fluorophenyl)-1-(5-chloro-1-propan-2-ylpyrrol-2-yl)propan-1-one?
The InChIKey is RGDXWHOSHXJSDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2FNO/c1-10(2)20-14(7-9-16(20)18)15(21)8-6-11-12(17)4-3-5-13(11)19/h3-5,7,9-10H,6,8H2,1-2H3.
What are the key properties of 3-(2-chloro-6-fluorophenyl)-1-(5-chloro-1-propan-2-ylpyrrol-2-yl)propan-1-one?
3-(2-chloro-6-fluorophenyl)-1-(5-chloro-1-propan-2-ylpyrrol-2-yl)propan-1-one has a molecular weight of 328.21 g/mol, XLogP of 5.33, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-6-fluorophenyl)-1-(5-chloro-1-propan-2-ylpyrrol-2-yl)propan-1-one is sourced from PubChem (CID 146724838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).