4-(4-fluoroanilino)-5-phenylcyclopent-2-en-1-one

C17H14FNO — CID 102237239

IUPAC4-(4-fluoroanilino)-5-phenylcyclopent-2-en-1-one
SMILESO=C1C=CC(Nc2ccc(F)cc2)C1c1ccccc1
InChIInChI=1S/C17H14FNO/c18-13-6-8-14(9-7-13)19-15-10-11-16(20)17(15)12-4-2-1-3-5-12/h1-11,15,17,19H
InChIKeyDVCUMBPPMFZTMV-UHFFFAOYSA-N
MW267.30 g/mol
LogP3.53
Rot. Bonds3

About 4-(4-fluoroanilino)-5-phenylcyclopent-2-en-1-one

4-(4-fluoroanilino)-5-phenylcyclopent-2-en-1-one (PubChem CID 102237239) has the molecular formula C17H14FNO and a molecular weight of 267.30 g/mol. Its IUPAC name is 4-(4-fluoroanilino)-5-phenylcyclopent-2-en-1-one.

Molecular Properties

Compound Name4-(4-fluoroanilino)-5-phenylcyclopent-2-en-1-one
PubChem CID102237239
Molecular FormulaC17H14FNO
Molecular Weight267.30 g/mol
Exact Mass267.11
IUPAC Name4-(4-fluoroanilino)-5-phenylcyclopent-2-en-1-one
SMILESO=C1C=CC(Nc2ccc(F)cc2)C1c1ccccc1
InChIInChI=1S/C17H14FNO/c18-13-6-8-14(9-7-13)19-15-10-11-16(20)17(15)12-4-2-1-3-5-12/h1-11,15,17,19H
InChIKeyDVCUMBPPMFZTMV-UHFFFAOYSA-N
XLogP3.53
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoroanilino)-5-phenylcyclopent-2-en-1-one?
The IUPAC name of 4-(4-fluoroanilino)-5-phenylcyclopent-2-en-1-one (CID 102237239) is 4-(4-fluoroanilino)-5-phenylcyclopent-2-en-1-one.
What is the SMILES notation for 4-(4-fluoroanilino)-5-phenylcyclopent-2-en-1-one?
The canonical SMILES for 4-(4-fluoroanilino)-5-phenylcyclopent-2-en-1-one is O=C1C=CC(Nc2ccc(F)cc2)C1c1ccccc1.
What is the InChIKey of 4-(4-fluoroanilino)-5-phenylcyclopent-2-en-1-one?
The InChIKey is DVCUMBPPMFZTMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNO/c18-13-6-8-14(9-7-13)19-15-10-11-16(20)17(15)12-4-2-1-3-5-12/h1-11,15,17,19H.
What are the key properties of 4-(4-fluoroanilino)-5-phenylcyclopent-2-en-1-one?
4-(4-fluoroanilino)-5-phenylcyclopent-2-en-1-one has a molecular weight of 267.30 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoroanilino)-5-phenylcyclopent-2-en-1-one is sourced from PubChem (CID 102237239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).