2-(3-fluoroanilino)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone

C19H22FN3O2 — CID 109004179

IUPAC2-(3-fluoroanilino)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
SMILESCOc1ccccc1N1CCN(C(=O)CNc2cccc(F)c2)CC1
InChIInChI=1S/C19H22FN3O2/c1-25-18-8-3-2-7-17(18)22-9-11-23(12-10-22)19(24)14-21-16-6-4-5-15(20)13-16/h2-8,13,21H,9-12,14H2,1H3
InChIKeyKQHSGZIREARMEY-UHFFFAOYSA-N
MW343.40 g/mol
LogP2.60
Rot. Bonds5

About 2-(3-fluoroanilino)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone

2-(3-fluoroanilino)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone (PubChem CID 109004179) has the molecular formula C19H22FN3O2 and a molecular weight of 343.40 g/mol. Its IUPAC name is 2-(3-fluoroanilino)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3-fluoroanilino)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
PubChem CID109004179
Molecular FormulaC19H22FN3O2
Molecular Weight343.40 g/mol
Exact Mass343.17
IUPAC Name2-(3-fluoroanilino)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
SMILESCOc1ccccc1N1CCN(C(=O)CNc2cccc(F)c2)CC1
InChIInChI=1S/C19H22FN3O2/c1-25-18-8-3-2-7-17(18)22-9-11-23(12-10-22)19(24)14-21-16-6-4-5-15(20)13-16/h2-8,13,21H,9-12,14H2,1H3
InChIKeyKQHSGZIREARMEY-UHFFFAOYSA-N
XLogP2.60
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-anilino-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119826557
2-(3-fluorophenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 26534618
2-(4-acetylanilino)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 71116229
3-(3-acetylanilino)-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 109029494
4-fluoro-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 9335318
2-(2-ethoxyanilino)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 109004159
2-(3-fluoroanilino)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 109004075
2-(2,5-dimethylanilino)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 109004130
3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 109029504
1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108941985
2-(butan-2-ylamino)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 108993359
1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(2-methyl-6-propan-2-ylanilino)ethanone
CID 109004142

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoroanilino)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(3-fluoroanilino)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone (CID 109004179) is 2-(3-fluoroanilino)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(3-fluoroanilino)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(3-fluoroanilino)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone is COc1ccccc1N1CCN(C(=O)CNc2cccc(F)c2)CC1.
What is the InChIKey of 2-(3-fluoroanilino)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone?
The InChIKey is KQHSGZIREARMEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O2/c1-25-18-8-3-2-7-17(18)22-9-11-23(12-10-22)19(24)14-21-16-6-4-5-15(20)13-16/h2-8,13,21H,9-12,14H2,1H3.
What are the key properties of 2-(3-fluoroanilino)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone?
2-(3-fluoroanilino)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone has a molecular weight of 343.40 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoroanilino)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 109004179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).