N-(5-chloro-2-cyanophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoacetamide

C19H16ClFN4O2 — CID 18588711

IUPACN-(5-chloro-2-cyanophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoacetamide
SMILESN#Cc1ccc(Cl)cc1NC(=O)C(=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C19H16ClFN4O2/c20-14-2-1-13(12-22)17(11-14)23-18(26)19(27)25-9-7-24(8-10-25)16-5-3-15(21)4-6-16/h1-6,11H,7-10H2,(H,23,26)
InChIKeyYBGQGASJYBEJHQ-UHFFFAOYSA-N
MW386.81 g/mol
LogP2.64
Rot. Bonds2

About N-(5-chloro-2-cyanophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoacetamide

N-(5-chloro-2-cyanophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoacetamide (PubChem CID 18588711) has the molecular formula C19H16ClFN4O2 and a molecular weight of 386.81 g/mol. Its IUPAC name is N-(5-chloro-2-cyanophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-(5-chloro-2-cyanophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoacetamide
PubChem CID18588711
Molecular FormulaC19H16ClFN4O2
Molecular Weight386.81 g/mol
Exact Mass386.09
IUPAC NameN-(5-chloro-2-cyanophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoacetamide
SMILESN#Cc1ccc(Cl)cc1NC(=O)C(=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C19H16ClFN4O2/c20-14-2-1-13(12-22)17(11-14)23-18(26)19(27)25-9-7-24(8-10-25)16-5-3-15(21)4-6-16/h1-6,11H,7-10H2,(H,23,26)
InChIKeyYBGQGASJYBEJHQ-UHFFFAOYSA-N
XLogP2.64
TPSA76.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.81
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-cyanophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoacetamide?
The IUPAC name of N-(5-chloro-2-cyanophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoacetamide (CID 18588711) is N-(5-chloro-2-cyanophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoacetamide.
What is the SMILES notation for N-(5-chloro-2-cyanophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoacetamide?
The canonical SMILES for N-(5-chloro-2-cyanophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoacetamide is N#Cc1ccc(Cl)cc1NC(=O)C(=O)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of N-(5-chloro-2-cyanophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoacetamide?
The InChIKey is YBGQGASJYBEJHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN4O2/c20-14-2-1-13(12-22)17(11-14)23-18(26)19(27)25-9-7-24(8-10-25)16-5-3-15(21)4-6-16/h1-6,11H,7-10H2,(H,23,26).
What are the key properties of N-(5-chloro-2-cyanophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoacetamide?
N-(5-chloro-2-cyanophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoacetamide has a molecular weight of 386.81 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-cyanophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 18588711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).