[5-(4-chlorophenyl)furan-2-yl]-[4-(4-chloro-2,3,5,6-tetrafluorophenyl)piperazin-1-yl]methanone

C21H14Cl2F4N2O2 — CID 17335544

IUPAC[5-(4-chlorophenyl)furan-2-yl]-[4-(4-chloro-2,3,5,6-tetrafluorophenyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(-c2ccc(Cl)cc2)o1)N1CCN(c2c(F)c(F)c(Cl)c(F)c2F)CC1
InChIInChI=1S/C21H14Cl2F4N2O2/c22-12-3-1-11(2-4-12)13-5-6-14(31-13)21(30)29-9-7-28(8-10-29)20-18(26)16(24)15(23)17(25)19(20)27/h1-6H,7-10H2
InChIKeyVHLXBMPTXDQHRJ-UHFFFAOYSA-N
MW473.25 g/mol
LogP5.77
Rot. Bonds3

About [5-(4-chlorophenyl)furan-2-yl]-[4-(4-chloro-2,3,5,6-tetrafluorophenyl)piperazin-1-yl]methanone

[5-(4-chlorophenyl)furan-2-yl]-[4-(4-chloro-2,3,5,6-tetrafluorophenyl)piperazin-1-yl]methanone (PubChem CID 17335544) has the molecular formula C21H14Cl2F4N2O2 and a molecular weight of 473.25 g/mol. Its IUPAC name is [5-(4-chlorophenyl)furan-2-yl]-[4-(4-chloro-2,3,5,6-tetrafluorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[5-(4-chlorophenyl)furan-2-yl]-[4-(4-chloro-2,3,5,6-tetrafluorophenyl)piperazin-1-yl]methanone
PubChem CID17335544
Molecular FormulaC21H14Cl2F4N2O2
Molecular Weight473.25 g/mol
Exact Mass472.04
IUPAC Name[5-(4-chlorophenyl)furan-2-yl]-[4-(4-chloro-2,3,5,6-tetrafluorophenyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(-c2ccc(Cl)cc2)o1)N1CCN(c2c(F)c(F)c(Cl)c(F)c2F)CC1
InChIInChI=1S/C21H14Cl2F4N2O2/c22-12-3-1-11(2-4-12)13-5-6-14(31-13)21(30)29-9-7-28(8-10-29)20-18(26)16(24)15(23)17(25)19(20)27/h1-6H,7-10H2
InChIKeyVHLXBMPTXDQHRJ-UHFFFAOYSA-N
XLogP5.77
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.25
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

[5-(4-chlorophenyl)furan-2-yl]-piperazin-1-ylmethanone
CID 24857857
[5-(4-chlorophenyl)furan-2-yl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 30275578
[5-(4-fluorophenyl)furan-2-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 17447640
N-[4-(4-chloro-2,3,5,6-tetrafluorophenyl)piperazine-1-carbothioyl]-5-(2,4-dichlorophenyl)furan-2-carboxamide
CID 17334833
[5-(4-fluorophenyl)furan-2-yl]-morpholin-4-ylmethanone
CID 4307207
[5-(4-fluorophenyl)furan-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 51193185
4-[4-[5-(4-chlorophenyl)furan-2-carbonyl]piperazin-1-yl]sulfonylbenzonitrile
CID 22109039
[4-(3-chlorophenyl)piperazin-1-yl]-[5-(4-nitrophenyl)furan-2-yl]methanone
CID 9146078
[5-(4-fluorophenyl)furan-2-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 18282964
N-[3-chloro-2-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]-5-(4-chlorophenyl)furan-2-carboxamide
CID 17066264
[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-[5-(4-fluorophenyl)furan-2-yl]methanone
CID 27841746
1,4-diazepan-1-yl-[5-(4-fluorophenyl)furan-2-yl]methanone
CID 94296837

Frequently Asked Questions

What is the IUPAC name of [5-(4-chlorophenyl)furan-2-yl]-[4-(4-chloro-2,3,5,6-tetrafluorophenyl)piperazin-1-yl]methanone?
The IUPAC name of [5-(4-chlorophenyl)furan-2-yl]-[4-(4-chloro-2,3,5,6-tetrafluorophenyl)piperazin-1-yl]methanone (CID 17335544) is [5-(4-chlorophenyl)furan-2-yl]-[4-(4-chloro-2,3,5,6-tetrafluorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [5-(4-chlorophenyl)furan-2-yl]-[4-(4-chloro-2,3,5,6-tetrafluorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for [5-(4-chlorophenyl)furan-2-yl]-[4-(4-chloro-2,3,5,6-tetrafluorophenyl)piperazin-1-yl]methanone is O=C(c1ccc(-c2ccc(Cl)cc2)o1)N1CCN(c2c(F)c(F)c(Cl)c(F)c2F)CC1.
What is the InChIKey of [5-(4-chlorophenyl)furan-2-yl]-[4-(4-chloro-2,3,5,6-tetrafluorophenyl)piperazin-1-yl]methanone?
The InChIKey is VHLXBMPTXDQHRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14Cl2F4N2O2/c22-12-3-1-11(2-4-12)13-5-6-14(31-13)21(30)29-9-7-28(8-10-29)20-18(26)16(24)15(23)17(25)19(20)27/h1-6H,7-10H2.
What are the key properties of [5-(4-chlorophenyl)furan-2-yl]-[4-(4-chloro-2,3,5,6-tetrafluorophenyl)piperazin-1-yl]methanone?
[5-(4-chlorophenyl)furan-2-yl]-[4-(4-chloro-2,3,5,6-tetrafluorophenyl)piperazin-1-yl]methanone has a molecular weight of 473.25 g/mol, XLogP of 5.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-chlorophenyl)furan-2-yl]-[4-(4-chloro-2,3,5,6-tetrafluorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 17335544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).