2-(4-ethylanilino)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone

C20H24FN3O — CID 109004436

IUPAC2-(4-ethylanilino)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
SMILESCCc1ccc(NCC(=O)N2CCN(c3ccccc3F)CC2)cc1
InChIInChI=1S/C20H24FN3O/c1-2-16-7-9-17(10-8-16)22-15-20(25)24-13-11-23(12-14-24)19-6-4-3-5-18(19)21/h3-10,22H,2,11-15H2,1H3
InChIKeyDCSXQZLRMQCDBH-UHFFFAOYSA-N
MW341.43 g/mol
LogP3.15
Rot. Bonds5

About 2-(4-ethylanilino)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone

2-(4-ethylanilino)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone (PubChem CID 109004436) has the molecular formula C20H24FN3O and a molecular weight of 341.43 g/mol. Its IUPAC name is 2-(4-ethylanilino)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-ethylanilino)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
PubChem CID109004436
Molecular FormulaC20H24FN3O
Molecular Weight341.43 g/mol
Exact Mass341.19
IUPAC Name2-(4-ethylanilino)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
SMILESCCc1ccc(NCC(=O)N2CCN(c3ccccc3F)CC2)cc1
InChIInChI=1S/C20H24FN3O/c1-2-16-7-9-17(10-8-16)22-15-20(25)24-13-11-23(12-14-24)19-6-4-3-5-18(19)21/h3-10,22H,2,11-15H2,1H3
InChIKeyDCSXQZLRMQCDBH-UHFFFAOYSA-N
XLogP3.15
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]amino]benzoate
CID 109004477
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-methoxyanilino)ethanone
CID 109004460
2-(3,5-dimethylanilino)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 109004433
2-(3-chloro-4-fluoroanilino)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 109004455
2-(3,5-dichloroanilino)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 109004494
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(2,3,4-trifluoroanilino)ethanone
CID 109004504
2-(4-ethylanilino)-1-piperidin-1-ylethanone
CID 28583235
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(4-ethylanilino)ethanone
CID 109004339
2-(4-chlorophenyl)-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 6460181
1-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-anilinoethanone;dihydrochloride
CID 119836972
N-(3-ethylphenyl)-4-[4-(2-fluorophenyl)piperazin-1-yl]-4-oxobutanamide
CID 131942245
1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-3-phenylurea
CID 42156451

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylanilino)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(4-ethylanilino)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone (CID 109004436) is 2-(4-ethylanilino)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(4-ethylanilino)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(4-ethylanilino)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone is CCc1ccc(NCC(=O)N2CCN(c3ccccc3F)CC2)cc1.
What is the InChIKey of 2-(4-ethylanilino)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone?
The InChIKey is DCSXQZLRMQCDBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O/c1-2-16-7-9-17(10-8-16)22-15-20(25)24-13-11-23(12-14-24)19-6-4-3-5-18(19)21/h3-10,22H,2,11-15H2,1H3.
What are the key properties of 2-(4-ethylanilino)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone?
2-(4-ethylanilino)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone has a molecular weight of 341.43 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylanilino)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 109004436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).