4-[2-[3-(2-fluorophenyl)-2,5-dihydropyrrol-1-yl]-2-oxoethyl]benzamide

C19H17FN2O2 — CID 166225749

IUPAC4-[2-[3-(2-fluorophenyl)-2,5-dihydropyrrol-1-yl]-2-oxoethyl]benzamide
SMILESNC(=O)c1ccc(CC(=O)N2CC=C(c3ccccc3F)C2)cc1
InChIInChI=1S/C19H17FN2O2/c20-17-4-2-1-3-16(17)15-9-10-22(12-15)18(23)11-13-5-7-14(8-6-13)19(21)24/h1-9H,10-12H2,(H2,21,24)
InChIKeyYKQSYHFHLKRQBS-UHFFFAOYSA-N
MW324.36 g/mol
LogP2.39
Rot. Bonds4

About 4-[2-[3-(2-fluorophenyl)-2,5-dihydropyrrol-1-yl]-2-oxoethyl]benzamide

4-[2-[3-(2-fluorophenyl)-2,5-dihydropyrrol-1-yl]-2-oxoethyl]benzamide (PubChem CID 166225749) has the molecular formula C19H17FN2O2 and a molecular weight of 324.36 g/mol. Its IUPAC name is 4-[2-[3-(2-fluorophenyl)-2,5-dihydropyrrol-1-yl]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-[2-[3-(2-fluorophenyl)-2,5-dihydropyrrol-1-yl]-2-oxoethyl]benzamide
PubChem CID166225749
Molecular FormulaC19H17FN2O2
Molecular Weight324.36 g/mol
Exact Mass324.13
IUPAC Name4-[2-[3-(2-fluorophenyl)-2,5-dihydropyrrol-1-yl]-2-oxoethyl]benzamide
SMILESNC(=O)c1ccc(CC(=O)N2CC=C(c3ccccc3F)C2)cc1
InChIInChI=1S/C19H17FN2O2/c20-17-4-2-1-3-16(17)15-9-10-22(12-15)18(23)11-13-5-7-14(8-6-13)19(21)24/h1-9H,10-12H2,(H2,21,24)
InChIKeyYKQSYHFHLKRQBS-UHFFFAOYSA-N
XLogP2.39
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-(2-fluorophenyl)-2,5-dihydropyrrol-1-yl]-2-oxoethyl]benzamide?
The IUPAC name of 4-[2-[3-(2-fluorophenyl)-2,5-dihydropyrrol-1-yl]-2-oxoethyl]benzamide (CID 166225749) is 4-[2-[3-(2-fluorophenyl)-2,5-dihydropyrrol-1-yl]-2-oxoethyl]benzamide.
What is the SMILES notation for 4-[2-[3-(2-fluorophenyl)-2,5-dihydropyrrol-1-yl]-2-oxoethyl]benzamide?
The canonical SMILES for 4-[2-[3-(2-fluorophenyl)-2,5-dihydropyrrol-1-yl]-2-oxoethyl]benzamide is NC(=O)c1ccc(CC(=O)N2CC=C(c3ccccc3F)C2)cc1.
What is the InChIKey of 4-[2-[3-(2-fluorophenyl)-2,5-dihydropyrrol-1-yl]-2-oxoethyl]benzamide?
The InChIKey is YKQSYHFHLKRQBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O2/c20-17-4-2-1-3-16(17)15-9-10-22(12-15)18(23)11-13-5-7-14(8-6-13)19(21)24/h1-9H,10-12H2,(H2,21,24).
What are the key properties of 4-[2-[3-(2-fluorophenyl)-2,5-dihydropyrrol-1-yl]-2-oxoethyl]benzamide?
4-[2-[3-(2-fluorophenyl)-2,5-dihydropyrrol-1-yl]-2-oxoethyl]benzamide has a molecular weight of 324.36 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-(2-fluorophenyl)-2,5-dihydropyrrol-1-yl]-2-oxoethyl]benzamide is sourced from PubChem (CID 166225749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).