2-[4-(2,3-dichlorobenzoyl)piperazine-1-carbonyl]fluoren-9-one

C25H18Cl2N2O3 — CID 55800240

IUPAC2-[4-(2,3-dichlorobenzoyl)piperazine-1-carbonyl]fluoren-9-one
SMILESO=C1c2ccccc2-c2ccc(C(=O)N3CCN(C(=O)c4cccc(Cl)c4Cl)CC3)cc21
InChIInChI=1S/C25H18Cl2N2O3/c26-21-7-3-6-19(22(21)27)25(32)29-12-10-28(11-13-29)24(31)15-8-9-17-16-4-1-2-5-18(16)23(30)20(17)14-15/h1-9,14H,10-13H2
InChIKeyDTXKAWOUERDEPH-UHFFFAOYSA-N
MW465.34 g/mol
LogP4.80
Rot. Bonds2

About 2-[4-(2,3-dichlorobenzoyl)piperazine-1-carbonyl]fluoren-9-one

2-[4-(2,3-dichlorobenzoyl)piperazine-1-carbonyl]fluoren-9-one (PubChem CID 55800240) has the molecular formula C25H18Cl2N2O3 and a molecular weight of 465.34 g/mol. Its IUPAC name is 2-[4-(2,3-dichlorobenzoyl)piperazine-1-carbonyl]fluoren-9-one.

Molecular Properties

Compound Name2-[4-(2,3-dichlorobenzoyl)piperazine-1-carbonyl]fluoren-9-one
PubChem CID55800240
Molecular FormulaC25H18Cl2N2O3
Molecular Weight465.34 g/mol
Exact Mass464.07
IUPAC Name2-[4-(2,3-dichlorobenzoyl)piperazine-1-carbonyl]fluoren-9-one
SMILESO=C1c2ccccc2-c2ccc(C(=O)N3CCN(C(=O)c4cccc(Cl)c4Cl)CC3)cc21
InChIInChI=1S/C25H18Cl2N2O3/c26-21-7-3-6-19(22(21)27)25(32)29-12-10-28(11-13-29)24(31)15-8-9-17-16-4-1-2-5-18(16)23(30)20(17)14-15/h1-9,14H,10-13H2
InChIKeyDTXKAWOUERDEPH-UHFFFAOYSA-N
XLogP4.80
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.34
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-bromophenyl)-[4-(2,3-dichlorobenzoyl)piperazin-1-yl]methanone
CID 55748861
5-[4-(2-chlorobenzoyl)piperazine-1-carbonyl]-2-propan-2-ylisoindole-1,3-dione
CID 108534422
2-[4-(furan-3-carbonyl)piperazine-1-carbonyl]fluoren-9-one
CID 32534624
2-(4-hydroxypiperidine-1-carbonyl)fluoren-9-one
CID 110883962
[4-(2-chlorobenzoyl)piperazin-1-yl]-(3,4-dichlorophenyl)methanone
CID 39711919
ethyl 4-(9-oxofluorene-2-carbonyl)piperazine-1-carboxylate
CID 17446072
2-(1,1-dioxo-1,4-thiazinane-4-carbonyl)anthracene-9,10-dione
CID 169240438
[4-(2,3-dichlorobenzoyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 55586250
1-[2-oxo-2-[4-(9-oxofluorene-2-carbonyl)piperazin-1-yl]ethyl]pyrrolidine-2,5-dione
CID 55950727
[4-(9,10-dioxoanthracene-2-carbonyl)piperazin-1-yl]methanesulfinate
CID 170189766
4-[4-(2-chlorobenzoyl)piperazine-1-carbonyl]benzoic acid
CID 2050566
[4-(2-chlorobenzoyl)piperazin-1-yl]-(4-chlorophenyl)methanone
CID 46550522

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,3-dichlorobenzoyl)piperazine-1-carbonyl]fluoren-9-one?
The IUPAC name of 2-[4-(2,3-dichlorobenzoyl)piperazine-1-carbonyl]fluoren-9-one (CID 55800240) is 2-[4-(2,3-dichlorobenzoyl)piperazine-1-carbonyl]fluoren-9-one.
What is the SMILES notation for 2-[4-(2,3-dichlorobenzoyl)piperazine-1-carbonyl]fluoren-9-one?
The canonical SMILES for 2-[4-(2,3-dichlorobenzoyl)piperazine-1-carbonyl]fluoren-9-one is O=C1c2ccccc2-c2ccc(C(=O)N3CCN(C(=O)c4cccc(Cl)c4Cl)CC3)cc21.
What is the InChIKey of 2-[4-(2,3-dichlorobenzoyl)piperazine-1-carbonyl]fluoren-9-one?
The InChIKey is DTXKAWOUERDEPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18Cl2N2O3/c26-21-7-3-6-19(22(21)27)25(32)29-12-10-28(11-13-29)24(31)15-8-9-17-16-4-1-2-5-18(16)23(30)20(17)14-15/h1-9,14H,10-13H2.
What are the key properties of 2-[4-(2,3-dichlorobenzoyl)piperazine-1-carbonyl]fluoren-9-one?
2-[4-(2,3-dichlorobenzoyl)piperazine-1-carbonyl]fluoren-9-one has a molecular weight of 465.34 g/mol, XLogP of 4.80, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,3-dichlorobenzoyl)piperazine-1-carbonyl]fluoren-9-one is sourced from PubChem (CID 55800240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).