3-cyclopropyl-1-(3,5-dichloro-4-fluorophenyl)piperazine-2,5-dione

C13H11Cl2FN2O2 — CID 107580233

IUPAC3-cyclopropyl-1-(3,5-dichloro-4-fluorophenyl)piperazine-2,5-dione
SMILESO=C1CN(c2cc(Cl)c(F)c(Cl)c2)C(=O)C(C2CC2)N1
InChIInChI=1S/C13H11Cl2FN2O2/c14-8-3-7(4-9(15)11(8)16)18-5-10(19)17-12(13(18)20)6-1-2-6/h3-4,6,12H,1-2,5H2,(H,17,19)
InChIKeyDHCHMEFCGXFTPU-UHFFFAOYSA-N
MW317.15 g/mol
LogP2.37
Rot. Bonds2

About 3-cyclopropyl-1-(3,5-dichloro-4-fluorophenyl)piperazine-2,5-dione

3-cyclopropyl-1-(3,5-dichloro-4-fluorophenyl)piperazine-2,5-dione (PubChem CID 107580233) has the molecular formula C13H11Cl2FN2O2 and a molecular weight of 317.15 g/mol. Its IUPAC name is 3-cyclopropyl-1-(3,5-dichloro-4-fluorophenyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3-cyclopropyl-1-(3,5-dichloro-4-fluorophenyl)piperazine-2,5-dione
PubChem CID107580233
Molecular FormulaC13H11Cl2FN2O2
Molecular Weight317.15 g/mol
Exact Mass316.02
IUPAC Name3-cyclopropyl-1-(3,5-dichloro-4-fluorophenyl)piperazine-2,5-dione
SMILESO=C1CN(c2cc(Cl)c(F)c(Cl)c2)C(=O)C(C2CC2)N1
InChIInChI=1S/C13H11Cl2FN2O2/c14-8-3-7(4-9(15)11(8)16)18-5-10(19)17-12(13(18)20)6-1-2-6/h3-4,6,12H,1-2,5H2,(H,17,19)
InChIKeyDHCHMEFCGXFTPU-UHFFFAOYSA-N
XLogP2.37
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.15
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-cyclopropyl-1-(3,5-dimethylphenyl)piperazine-2,5-dione
CID 64959039
1-(3-chlorophenyl)-3-cyclopropylpiperazine-2,5-dione
CID 64961221
1-(2-chloro-5-fluorophenyl)-3-cyclopropylpiperazine-2,5-dione
CID 107531619
1-(3,5-dichloro-4-fluorophenyl)-3-propylpiperazine-2,5-dione
CID 107580202
1-(3-bromo-4-fluorophenyl)-3-cyclopropylpiperazine-2,5-dione
CID 104781831
3-cyclopropyl-1-(4-fluoro-3-methylphenyl)piperazine-2,5-dione
CID 64969701
3-cyclopropyl-1-(2,4,5-trifluorophenyl)piperazine-2,5-dione
CID 64969795
3-cyclopropyl-1-[4-(trifluoromethyl)phenyl]piperazine-2,5-dione
CID 64956925
3-cyclopropyl-1-(2,6-difluorophenyl)piperazine-2,5-dione
CID 64959895
1-(3-bromo-5-methoxyphenyl)-3-cyclopropylpiperazine-2,5-dione
CID 82859322
1-(3-chloro-2-methylphenyl)-3-cyclopropylpiperazine-2,5-dione
CID 64962241
3-cyclopropyl-1-(3,5-dichloro-4-fluorophenyl)-3-methylpiperazine-2,5-dione
CID 107580238

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-(3,5-dichloro-4-fluorophenyl)piperazine-2,5-dione?
The IUPAC name of 3-cyclopropyl-1-(3,5-dichloro-4-fluorophenyl)piperazine-2,5-dione (CID 107580233) is 3-cyclopropyl-1-(3,5-dichloro-4-fluorophenyl)piperazine-2,5-dione.
What is the SMILES notation for 3-cyclopropyl-1-(3,5-dichloro-4-fluorophenyl)piperazine-2,5-dione?
The canonical SMILES for 3-cyclopropyl-1-(3,5-dichloro-4-fluorophenyl)piperazine-2,5-dione is O=C1CN(c2cc(Cl)c(F)c(Cl)c2)C(=O)C(C2CC2)N1.
What is the InChIKey of 3-cyclopropyl-1-(3,5-dichloro-4-fluorophenyl)piperazine-2,5-dione?
The InChIKey is DHCHMEFCGXFTPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2FN2O2/c14-8-3-7(4-9(15)11(8)16)18-5-10(19)17-12(13(18)20)6-1-2-6/h3-4,6,12H,1-2,5H2,(H,17,19).
What are the key properties of 3-cyclopropyl-1-(3,5-dichloro-4-fluorophenyl)piperazine-2,5-dione?
3-cyclopropyl-1-(3,5-dichloro-4-fluorophenyl)piperazine-2,5-dione has a molecular weight of 317.15 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-(3,5-dichloro-4-fluorophenyl)piperazine-2,5-dione is sourced from PubChem (CID 107580233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).