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

C19H22FN3O — CID 109004075

IUPAC2-(3-fluoroanilino)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
SMILESCc1cccc(N2CCN(C(=O)CNc3cccc(F)c3)CC2)c1
InChIInChI=1S/C19H22FN3O/c1-15-4-2-7-18(12-15)22-8-10-23(11-9-22)19(24)14-21-17-6-3-5-16(20)13-17/h2-7,12-13,21H,8-11,14H2,1H3
InChIKeyNREHPGBTIRZOHF-UHFFFAOYSA-N
MW327.40 g/mol
LogP2.89
Rot. Bonds4

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

2-(3-fluoroanilino)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone (PubChem CID 109004075) has the molecular formula C19H22FN3O and a molecular weight of 327.40 g/mol. Its IUPAC name is 2-(3-fluoroanilino)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3-fluoroanilino)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
PubChem CID109004075
Molecular FormulaC19H22FN3O
Molecular Weight327.40 g/mol
Exact Mass327.17
IUPAC Name2-(3-fluoroanilino)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
SMILESCc1cccc(N2CCN(C(=O)CNc3cccc(F)c3)CC2)c1
InChIInChI=1S/C19H22FN3O/c1-15-4-2-7-18(12-15)22-8-10-23(11-9-22)19(24)14-21-17-6-3-5-16(20)13-17/h2-7,12-13,21H,8-11,14H2,1H3
InChIKeyNREHPGBTIRZOHF-UHFFFAOYSA-N
XLogP2.89
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3-fluoroanilino)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-methylanilino)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 109004018
2-(3-chloro-4-methylanilino)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 109004043
2-(3,4-dimethoxyanilino)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 109004058
2-(3-fluorophenyl)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 112994419
2-(3-fluoroanilino)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 109004179
2-(4-chloro-2-methylanilino)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 109004042
2-fluoro-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 18120436
3-(3-chloro-4-methylanilino)-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one
CID 109029310
3-[[3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]amino]benzonitrile
CID 109029354
2-chloro-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 4741226
2-(3-methylbutylamino)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 109004007
1-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]-3-propan-2-ylurea
CID 112994427

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoroanilino)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(3-fluoroanilino)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone (CID 109004075) is 2-(3-fluoroanilino)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(3-fluoroanilino)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(3-fluoroanilino)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone is Cc1cccc(N2CCN(C(=O)CNc3cccc(F)c3)CC2)c1.
What is the InChIKey of 2-(3-fluoroanilino)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone?
The InChIKey is NREHPGBTIRZOHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O/c1-15-4-2-7-18(12-15)22-8-10-23(11-9-22)19(24)14-21-17-6-3-5-16(20)13-17/h2-7,12-13,21H,8-11,14H2,1H3.
What are the key properties of 2-(3-fluoroanilino)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone?
2-(3-fluoroanilino)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone has a molecular weight of 327.40 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoroanilino)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 109004075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).