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

C18H18ClF2N3O — CID 109004455

IUPAC2-(3-chloro-4-fluoroanilino)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
SMILESO=C(CNc1ccc(F)c(Cl)c1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C18H18ClF2N3O/c19-14-11-13(5-6-15(14)20)22-12-18(25)24-9-7-23(8-10-24)17-4-2-1-3-16(17)21/h1-6,11,22H,7-10,12H2
InChIKeyXNQNHOMKCAXDHL-UHFFFAOYSA-N
MW365.81 g/mol
LogP3.38
Rot. Bonds4

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

2-(3-chloro-4-fluoroanilino)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone (PubChem CID 109004455) has the molecular formula C18H18ClF2N3O and a molecular weight of 365.81 g/mol. Its IUPAC name is 2-(3-chloro-4-fluoroanilino)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3-chloro-4-fluoroanilino)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
PubChem CID109004455
Molecular FormulaC18H18ClF2N3O
Molecular Weight365.81 g/mol
Exact Mass365.11
IUPAC Name2-(3-chloro-4-fluoroanilino)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
SMILESO=C(CNc1ccc(F)c(Cl)c1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C18H18ClF2N3O/c19-14-11-13(5-6-15(14)20)22-12-18(25)24-9-7-23(8-10-24)17-4-2-1-3-16(17)21/h1-6,11,22H,7-10,12H2
InChIKeyXNQNHOMKCAXDHL-UHFFFAOYSA-N
XLogP3.38
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.81
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,5-dichloroanilino)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 109004494
2-(3-chloro-4-fluoroanilino)-1-piperidin-1-ylethanone
CID 39369835
2-(3,5-dimethylanilino)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 109004433
2-(4-ethylanilino)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 109004436
2-(3-chloro-4-fluoroanilino)-1-(4-ethylpiperazin-1-yl)ethanone
CID 108995634
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-methoxyanilino)ethanone
CID 109004460
methyl 4-[[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]amino]benzoate
CID 109004477
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(2,3,4-trifluoroanilino)ethanone
CID 109004504
2-(3-chloro-4-fluoroanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 109004662
2-(4-chlorophenyl)-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 6460181
3-(2,4-dichloroanilino)-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one
CID 109029884
2-(4-chloro-2-fluorophenyl)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 100751498

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluoroanilino)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(3-chloro-4-fluoroanilino)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone (CID 109004455) is 2-(3-chloro-4-fluoroanilino)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(3-chloro-4-fluoroanilino)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(3-chloro-4-fluoroanilino)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone is O=C(CNc1ccc(F)c(Cl)c1)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of 2-(3-chloro-4-fluoroanilino)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone?
The InChIKey is XNQNHOMKCAXDHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClF2N3O/c19-14-11-13(5-6-15(14)20)22-12-18(25)24-9-7-23(8-10-24)17-4-2-1-3-16(17)21/h1-6,11,22H,7-10,12H2.
What are the key properties of 2-(3-chloro-4-fluoroanilino)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone?
2-(3-chloro-4-fluoroanilino)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone has a molecular weight of 365.81 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluoroanilino)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 109004455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).