N-(2,6-dichlorophenyl)-4-[2-(4-fluorophenyl)ethyl]piperazine-1-carboxamide

C19H20Cl2FN3O — CID 113109157

IUPACN-(2,6-dichlorophenyl)-4-[2-(4-fluorophenyl)ethyl]piperazine-1-carboxamide
SMILESO=C(Nc1c(Cl)cccc1Cl)N1CCN(CCc2ccc(F)cc2)CC1
InChIInChI=1S/C19H20Cl2FN3O/c20-16-2-1-3-17(21)18(16)23-19(26)25-12-10-24(11-13-25)9-8-14-4-6-15(22)7-5-14/h1-7H,8-13H2,(H,23,26)
InChIKeyLLOVRIOVESAKCX-UHFFFAOYSA-N
MW396.29 g/mol
LogP4.52
Rot. Bonds4

About N-(2,6-dichlorophenyl)-4-[2-(4-fluorophenyl)ethyl]piperazine-1-carboxamide

N-(2,6-dichlorophenyl)-4-[2-(4-fluorophenyl)ethyl]piperazine-1-carboxamide (PubChem CID 113109157) has the molecular formula C19H20Cl2FN3O and a molecular weight of 396.29 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-4-[2-(4-fluorophenyl)ethyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-4-[2-(4-fluorophenyl)ethyl]piperazine-1-carboxamide
PubChem CID113109157
Molecular FormulaC19H20Cl2FN3O
Molecular Weight396.29 g/mol
Exact Mass395.10
IUPAC NameN-(2,6-dichlorophenyl)-4-[2-(4-fluorophenyl)ethyl]piperazine-1-carboxamide
SMILESO=C(Nc1c(Cl)cccc1Cl)N1CCN(CCc2ccc(F)cc2)CC1
InChIInChI=1S/C19H20Cl2FN3O/c20-16-2-1-3-17(21)18(16)23-19(26)25-12-10-24(11-13-25)9-8-14-4-6-15(22)7-5-14/h1-7H,8-13H2,(H,23,26)
InChIKeyLLOVRIOVESAKCX-UHFFFAOYSA-N
XLogP4.52
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.29
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-chloro-4,6-dimethylphenyl)-4-[2-(4-fluorophenyl)ethyl]piperazine-1-carboxamide
CID 113109121
4-[2-(4-chlorophenyl)ethyl]-N-(3-fluorophenyl)piperazine-1-carboxamide
CID 113109928
N-[2-(4-chlorophenyl)ethyl]-4-[2-(4-fluorophenyl)ethyl]piperazine-1-carboxamide
CID 113109096
N-(2-chlorophenyl)-4-[2-(4-chlorophenyl)ethyl]piperazine-1-carboxamide
CID 113109911
N-(2,6-dichlorophenyl)-4-methylpiperazine-1-carboxamide
CID 108988464
(4-chlorophenyl)-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]methanone
CID 21275348
methyl 4-[[4-[2-(4-fluorophenyl)ethyl]piperazine-1-carbonyl]amino]benzoate
CID 113109144
4-[2-(3-chlorophenyl)ethyl]-N-(2,4-difluorophenyl)piperazine-1-carboxamide
CID 113110971
N-(2-chloro-6-fluorophenyl)-4-methylpiperazine-1-carboxamide
CID 108896475
4-(2,6-dichlorophenyl)-N-[2-(4-fluorophenyl)ethyl]piperazine-1-carboxamide
CID 113109230
1-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]-2-phenylethanone
CID 110290610
4-[2-(4-fluorophenyl)ethyl]-N,N-dimethylpiperazine-1-carboxamide
CID 110290641

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-4-[2-(4-fluorophenyl)ethyl]piperazine-1-carboxamide?
The IUPAC name of N-(2,6-dichlorophenyl)-4-[2-(4-fluorophenyl)ethyl]piperazine-1-carboxamide (CID 113109157) is N-(2,6-dichlorophenyl)-4-[2-(4-fluorophenyl)ethyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(2,6-dichlorophenyl)-4-[2-(4-fluorophenyl)ethyl]piperazine-1-carboxamide?
The canonical SMILES for N-(2,6-dichlorophenyl)-4-[2-(4-fluorophenyl)ethyl]piperazine-1-carboxamide is O=C(Nc1c(Cl)cccc1Cl)N1CCN(CCc2ccc(F)cc2)CC1.
What is the InChIKey of N-(2,6-dichlorophenyl)-4-[2-(4-fluorophenyl)ethyl]piperazine-1-carboxamide?
The InChIKey is LLOVRIOVESAKCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2FN3O/c20-16-2-1-3-17(21)18(16)23-19(26)25-12-10-24(11-13-25)9-8-14-4-6-15(22)7-5-14/h1-7H,8-13H2,(H,23,26).
What are the key properties of N-(2,6-dichlorophenyl)-4-[2-(4-fluorophenyl)ethyl]piperazine-1-carboxamide?
N-(2,6-dichlorophenyl)-4-[2-(4-fluorophenyl)ethyl]piperazine-1-carboxamide has a molecular weight of 396.29 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-4-[2-(4-fluorophenyl)ethyl]piperazine-1-carboxamide is sourced from PubChem (CID 113109157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).