4-(4-fluorophenyl)-N-(2,4,6-trichlorophenyl)piperazine-1-carboxamide

C17H15Cl3FN3O — CID 4985902

IUPAC4-(4-fluorophenyl)-N-(2,4,6-trichlorophenyl)piperazine-1-carboxamide
SMILESO=C(Nc1c(Cl)cc(Cl)cc1Cl)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C17H15Cl3FN3O/c18-11-9-14(19)16(15(20)10-11)22-17(25)24-7-5-23(6-8-24)13-3-1-12(21)2-4-13/h1-4,9-10H,5-8H2,(H,22,25)
InChIKeyPRAPDUWGEFJZOL-UHFFFAOYSA-N
MW402.68 g/mol
LogP5.14
Rot. Bonds2

About 4-(4-fluorophenyl)-N-(2,4,6-trichlorophenyl)piperazine-1-carboxamide

4-(4-fluorophenyl)-N-(2,4,6-trichlorophenyl)piperazine-1-carboxamide (PubChem CID 4985902) has the molecular formula C17H15Cl3FN3O and a molecular weight of 402.68 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-(2,4,6-trichlorophenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-(2,4,6-trichlorophenyl)piperazine-1-carboxamide
PubChem CID4985902
Molecular FormulaC17H15Cl3FN3O
Molecular Weight402.68 g/mol
Exact Mass401.03
IUPAC Name4-(4-fluorophenyl)-N-(2,4,6-trichlorophenyl)piperazine-1-carboxamide
SMILESO=C(Nc1c(Cl)cc(Cl)cc1Cl)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C17H15Cl3FN3O/c18-11-9-14(19)16(15(20)10-11)22-17(25)24-7-5-23(6-8-24)13-3-1-12(21)2-4-13/h1-4,9-10H,5-8H2,(H,22,25)
InChIKeyPRAPDUWGEFJZOL-UHFFFAOYSA-N
XLogP5.14
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.68
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-4-(4-fluorophenyl)piperazine-1-carboxamide
CID 108989593
4-(4-aminophenyl)-N-(2,6-dichlorophenyl)piperazine-1-carboxamide
CID 59419439
N-(2,6-dibromo-4-propan-2-ylphenyl)-4-(4-fluorophenyl)piperazine-1-carboxamide
CID 4986012
4-(4-methylphenyl)-N-(2,4,6-trifluorophenyl)piperazine-1-carboxamide
CID 70949261
4-(3-chloro-4-fluorophenyl)-N-(3,4-difluorophenyl)piperazine-1-carboxamide
CID 113113338
N-(2-chloro-4,6-dimethylphenyl)-4-(3-fluorophenyl)piperazine-1-carboxamide
CID 113113392
(2-chloro-4-fluorophenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 46797435
N-(2-chloro-6-fluorophenyl)-4-phenylpiperazine-1-carboxamide
CID 108896638
4-(4-fluorophenyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 4614489
4-(4-fluorophenyl)-N-[3-[[4-(4-fluorophenyl)piperazine-1-carbonyl]amino]-4-methylphenyl]piperazine-1-carboxamide
CID 4087050
N-(4-acetamidophenyl)-4-(3-chloro-4-fluorophenyl)piperazine-1-carboxamide
CID 113113323
N-[2-(4-chlorophenyl)ethyl]-4-(4-fluorophenyl)piperazine-1-carboxamide
CID 108891864

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N-(2,4,6-trichlorophenyl)piperazine-1-carboxamide?
The IUPAC name of 4-(4-fluorophenyl)-N-(2,4,6-trichlorophenyl)piperazine-1-carboxamide (CID 4985902) is 4-(4-fluorophenyl)-N-(2,4,6-trichlorophenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(4-fluorophenyl)-N-(2,4,6-trichlorophenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(4-fluorophenyl)-N-(2,4,6-trichlorophenyl)piperazine-1-carboxamide is O=C(Nc1c(Cl)cc(Cl)cc1Cl)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 4-(4-fluorophenyl)-N-(2,4,6-trichlorophenyl)piperazine-1-carboxamide?
The InChIKey is PRAPDUWGEFJZOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl3FN3O/c18-11-9-14(19)16(15(20)10-11)22-17(25)24-7-5-23(6-8-24)13-3-1-12(21)2-4-13/h1-4,9-10H,5-8H2,(H,22,25).
What are the key properties of 4-(4-fluorophenyl)-N-(2,4,6-trichlorophenyl)piperazine-1-carboxamide?
4-(4-fluorophenyl)-N-(2,4,6-trichlorophenyl)piperazine-1-carboxamide has a molecular weight of 402.68 g/mol, XLogP of 5.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N-(2,4,6-trichlorophenyl)piperazine-1-carboxamide is sourced from PubChem (CID 4985902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).