2-(4-chloro-2-fluoroanilino)-1-(4-phenylpiperazin-1-yl)ethanone

C18H19ClFN3O — CID 2486451

IUPAC2-(4-chloro-2-fluoroanilino)-1-(4-phenylpiperazin-1-yl)ethanone
SMILESO=C(CNc1ccc(Cl)cc1F)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C18H19ClFN3O/c19-14-6-7-17(16(20)12-14)21-13-18(24)23-10-8-22(9-11-23)15-4-2-1-3-5-15/h1-7,12,21H,8-11,13H2
InChIKeyLJJHJCQDAHROHT-UHFFFAOYSA-N
MW347.82 g/mol
LogP3.24
Rot. Bonds4

About 2-(4-chloro-2-fluoroanilino)-1-(4-phenylpiperazin-1-yl)ethanone

2-(4-chloro-2-fluoroanilino)-1-(4-phenylpiperazin-1-yl)ethanone (PubChem CID 2486451) has the molecular formula C18H19ClFN3O and a molecular weight of 347.82 g/mol. Its IUPAC name is 2-(4-chloro-2-fluoroanilino)-1-(4-phenylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-chloro-2-fluoroanilino)-1-(4-phenylpiperazin-1-yl)ethanone
PubChem CID2486451
Molecular FormulaC18H19ClFN3O
Molecular Weight347.82 g/mol
Exact Mass347.12
IUPAC Name2-(4-chloro-2-fluoroanilino)-1-(4-phenylpiperazin-1-yl)ethanone
SMILESO=C(CNc1ccc(Cl)cc1F)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C18H19ClFN3O/c19-14-6-7-17(16(20)12-14)21-13-18(24)23-10-8-22(9-11-23)15-4-2-1-3-5-15/h1-7,12,21H,8-11,13H2
InChIKeyLJJHJCQDAHROHT-UHFFFAOYSA-N
XLogP3.24
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.82
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-chloro-2-fluoroanilino)-1-(4-phenylpiperazin-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

1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(2,4-difluoroanilino)ethanone
CID 109004385
2-(4-chloro-2-fluoroanilino)-1-pyrrolidin-1-ylethanone
CID 60631356
2-(2,5-dichloroanilino)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
CID 109002270
2-(2,3-dichloroanilino)-1-(4-phenylpiperazin-1-yl)ethanone
CID 109002179
2-(4-chloro-2-methylanilino)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 109004042
2-(3-chloro-2-methylanilino)-1-(4-phenylpiperazin-1-yl)ethanone
CID 17395805
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(2,3,4-trifluoroanilino)ethanone
CID 109004504
2-[(4-chloro-2-fluorophenyl)methylsulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone
CID 100520841
2-(2-fluoro-4-methylanilino)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 37479293
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(2-propan-2-yloxyanilino)ethanone
CID 109004365
2-(3,5-dichloroanilino)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 109004494
1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(5-chloro-2-fluoroanilino)ethanone
CID 51490486

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-fluoroanilino)-1-(4-phenylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(4-chloro-2-fluoroanilino)-1-(4-phenylpiperazin-1-yl)ethanone (CID 2486451) is 2-(4-chloro-2-fluoroanilino)-1-(4-phenylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(4-chloro-2-fluoroanilino)-1-(4-phenylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(4-chloro-2-fluoroanilino)-1-(4-phenylpiperazin-1-yl)ethanone is O=C(CNc1ccc(Cl)cc1F)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 2-(4-chloro-2-fluoroanilino)-1-(4-phenylpiperazin-1-yl)ethanone?
The InChIKey is LJJHJCQDAHROHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClFN3O/c19-14-6-7-17(16(20)12-14)21-13-18(24)23-10-8-22(9-11-23)15-4-2-1-3-5-15/h1-7,12,21H,8-11,13H2.
What are the key properties of 2-(4-chloro-2-fluoroanilino)-1-(4-phenylpiperazin-1-yl)ethanone?
2-(4-chloro-2-fluoroanilino)-1-(4-phenylpiperazin-1-yl)ethanone has a molecular weight of 347.82 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-fluoroanilino)-1-(4-phenylpiperazin-1-yl)ethanone is sourced from PubChem (CID 2486451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).