1-[5-(2-fluorobenzoyl)-1H-pyrrol-2-yl]-2-phenylethanone

C19H14FNO2 — CID 175680536

IUPAC1-[5-(2-fluorobenzoyl)-1H-pyrrol-2-yl]-2-phenylethanone
SMILESO=C(Cc1ccccc1)c1ccc(C(=O)c2ccccc2F)[nH]1
InChIInChI=1S/C19H14FNO2/c20-15-9-5-4-8-14(15)19(23)17-11-10-16(21-17)18(22)12-13-6-2-1-3-7-13/h1-11,21H,12H2
InChIKeyROFXLKXPCHIHQB-UHFFFAOYSA-N
MW307.32 g/mol
LogP3.81
Rot. Bonds5

About 1-[5-(2-fluorobenzoyl)-1H-pyrrol-2-yl]-2-phenylethanone

1-[5-(2-fluorobenzoyl)-1H-pyrrol-2-yl]-2-phenylethanone (PubChem CID 175680536) has the molecular formula C19H14FNO2 and a molecular weight of 307.32 g/mol. Its IUPAC name is 1-[5-(2-fluorobenzoyl)-1H-pyrrol-2-yl]-2-phenylethanone.

Molecular Properties

Compound Name1-[5-(2-fluorobenzoyl)-1H-pyrrol-2-yl]-2-phenylethanone
PubChem CID175680536
Molecular FormulaC19H14FNO2
Molecular Weight307.32 g/mol
Exact Mass307.10
IUPAC Name1-[5-(2-fluorobenzoyl)-1H-pyrrol-2-yl]-2-phenylethanone
SMILESO=C(Cc1ccccc1)c1ccc(C(=O)c2ccccc2F)[nH]1
InChIInChI=1S/C19H14FNO2/c20-15-9-5-4-8-14(15)19(23)17-11-10-16(21-17)18(22)12-13-6-2-1-3-7-13/h1-11,21H,12H2
InChIKeyROFXLKXPCHIHQB-UHFFFAOYSA-N
XLogP3.81
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.32
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-fluorobenzoyl)-1H-pyrrol-2-yl]-2-phenylethanone?
The IUPAC name of 1-[5-(2-fluorobenzoyl)-1H-pyrrol-2-yl]-2-phenylethanone (CID 175680536) is 1-[5-(2-fluorobenzoyl)-1H-pyrrol-2-yl]-2-phenylethanone.
What is the SMILES notation for 1-[5-(2-fluorobenzoyl)-1H-pyrrol-2-yl]-2-phenylethanone?
The canonical SMILES for 1-[5-(2-fluorobenzoyl)-1H-pyrrol-2-yl]-2-phenylethanone is O=C(Cc1ccccc1)c1ccc(C(=O)c2ccccc2F)[nH]1.
What is the InChIKey of 1-[5-(2-fluorobenzoyl)-1H-pyrrol-2-yl]-2-phenylethanone?
The InChIKey is ROFXLKXPCHIHQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FNO2/c20-15-9-5-4-8-14(15)19(23)17-11-10-16(21-17)18(22)12-13-6-2-1-3-7-13/h1-11,21H,12H2.
What are the key properties of 1-[5-(2-fluorobenzoyl)-1H-pyrrol-2-yl]-2-phenylethanone?
1-[5-(2-fluorobenzoyl)-1H-pyrrol-2-yl]-2-phenylethanone has a molecular weight of 307.32 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-fluorobenzoyl)-1H-pyrrol-2-yl]-2-phenylethanone is sourced from PubChem (CID 175680536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).