2-(4-chlorophenyl)-N-[4-[4-(2,3,4,5,6-pentafluorophenyl)piperazin-1-yl]phenyl]acetamide

C24H19ClF5N3O — CID 17118263

IUPAC2-(4-chlorophenyl)-N-[4-[4-(2,3,4,5,6-pentafluorophenyl)piperazin-1-yl]phenyl]acetamide
SMILESO=C(Cc1ccc(Cl)cc1)Nc1ccc(N2CCN(c3c(F)c(F)c(F)c(F)c3F)CC2)cc1
InChIInChI=1S/C24H19ClF5N3O/c25-15-3-1-14(2-4-15)13-18(34)31-16-5-7-17(8-6-16)32-9-11-33(12-10-32)24-22(29)20(27)19(26)21(28)23(24)30/h1-8H,9-13H2,(H,31,34)
InChIKeyFKOLJNSNNBGRNV-UHFFFAOYSA-N
MW495.88 g/mol
LogP5.54
Rot. Bonds5

About 2-(4-chlorophenyl)-N-[4-[4-(2,3,4,5,6-pentafluorophenyl)piperazin-1-yl]phenyl]acetamide

2-(4-chlorophenyl)-N-[4-[4-(2,3,4,5,6-pentafluorophenyl)piperazin-1-yl]phenyl]acetamide (PubChem CID 17118263) has the molecular formula C24H19ClF5N3O and a molecular weight of 495.88 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[4-[4-(2,3,4,5,6-pentafluorophenyl)piperazin-1-yl]phenyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[4-[4-(2,3,4,5,6-pentafluorophenyl)piperazin-1-yl]phenyl]acetamide
PubChem CID17118263
Molecular FormulaC24H19ClF5N3O
Molecular Weight495.88 g/mol
Exact Mass495.11
IUPAC Name2-(4-chlorophenyl)-N-[4-[4-(2,3,4,5,6-pentafluorophenyl)piperazin-1-yl]phenyl]acetamide
SMILESO=C(Cc1ccc(Cl)cc1)Nc1ccc(N2CCN(c3c(F)c(F)c(F)c(F)c3F)CC2)cc1
InChIInChI=1S/C24H19ClF5N3O/c25-15-3-1-14(2-4-15)13-18(34)31-16-5-7-17(8-6-16)32-9-11-33(12-10-32)24-22(29)20(27)19(26)21(28)23(24)30/h1-8H,9-13H2,(H,31,34)
InChIKeyFKOLJNSNNBGRNV-UHFFFAOYSA-N
XLogP5.54
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.88
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-(4-chlorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 2228389
2-chloro-N-[4-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]phenyl]acetamide
CID 19099535
2-(4-fluorophenyl)-N-[4-(4-phenylpiperazin-1-yl)phenyl]acetamide
CID 112983945
2-(4-chlorophenyl)-N-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]acetamide
CID 113000176
2-(4-chloro-2-methylphenoxy)-N-[4-[4-(2,3,4,5,6-pentafluorophenyl)piperazin-1-yl]phenyl]acetamide
CID 4203187
2,3,4,5,6-pentafluoro-N-[4-[4-(2,3,4,5,6-pentafluorophenyl)piperazin-1-yl]phenyl]benzamide
CID 4232337
N-(4-chlorophenyl)-2-(4-fluorophenyl)acetamide
CID 7027780
2-(4-chloro-2-fluorophenyl)-N-(4-piperidin-1-ylphenyl)acetamide
CID 100516600
N-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-2-(4-fluorophenyl)acetamide
CID 110288057
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(4-pyrrolidin-1-ylphenyl)acetamide
CID 110409810
N-[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]phenyl]-2-(4-fluorophenyl)acetamide
CID 112502808
N-(4-chlorophenyl)-3-(4-morpholin-4-ylphenyl)propanamide
CID 110650035

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[4-[4-(2,3,4,5,6-pentafluorophenyl)piperazin-1-yl]phenyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[4-[4-(2,3,4,5,6-pentafluorophenyl)piperazin-1-yl]phenyl]acetamide (CID 17118263) is 2-(4-chlorophenyl)-N-[4-[4-(2,3,4,5,6-pentafluorophenyl)piperazin-1-yl]phenyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[4-[4-(2,3,4,5,6-pentafluorophenyl)piperazin-1-yl]phenyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[4-[4-(2,3,4,5,6-pentafluorophenyl)piperazin-1-yl]phenyl]acetamide is O=C(Cc1ccc(Cl)cc1)Nc1ccc(N2CCN(c3c(F)c(F)c(F)c(F)c3F)CC2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[4-[4-(2,3,4,5,6-pentafluorophenyl)piperazin-1-yl]phenyl]acetamide?
The InChIKey is FKOLJNSNNBGRNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClF5N3O/c25-15-3-1-14(2-4-15)13-18(34)31-16-5-7-17(8-6-16)32-9-11-33(12-10-32)24-22(29)20(27)19(26)21(28)23(24)30/h1-8H,9-13H2,(H,31,34).
What are the key properties of 2-(4-chlorophenyl)-N-[4-[4-(2,3,4,5,6-pentafluorophenyl)piperazin-1-yl]phenyl]acetamide?
2-(4-chlorophenyl)-N-[4-[4-(2,3,4,5,6-pentafluorophenyl)piperazin-1-yl]phenyl]acetamide has a molecular weight of 495.88 g/mol, XLogP of 5.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[4-[4-(2,3,4,5,6-pentafluorophenyl)piperazin-1-yl]phenyl]acetamide is sourced from PubChem (CID 17118263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).