N-(4-bromo-2-fluorophenyl)-4-(4-cyanophenyl)piperazine-1-carboxamide

C18H16BrFN4O — CID 3860163

IUPACN-(4-bromo-2-fluorophenyl)-4-(4-cyanophenyl)piperazine-1-carboxamide
SMILESN#Cc1ccc(N2CCN(C(=O)Nc3ccc(Br)cc3F)CC2)cc1
InChIInChI=1S/C18H16BrFN4O/c19-14-3-6-17(16(20)11-14)22-18(25)24-9-7-23(8-10-24)15-4-1-13(12-21)2-5-15/h1-6,11H,7-10H2,(H,22,25)
InChIKeyVZCSFONRNRBCAF-UHFFFAOYSA-N
MW403.26 g/mol
LogP3.81
Rot. Bonds2

About N-(4-bromo-2-fluorophenyl)-4-(4-cyanophenyl)piperazine-1-carboxamide

N-(4-bromo-2-fluorophenyl)-4-(4-cyanophenyl)piperazine-1-carboxamide (PubChem CID 3860163) has the molecular formula C18H16BrFN4O and a molecular weight of 403.26 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-4-(4-cyanophenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-4-(4-cyanophenyl)piperazine-1-carboxamide
PubChem CID3860163
Molecular FormulaC18H16BrFN4O
Molecular Weight403.26 g/mol
Exact Mass402.05
IUPAC NameN-(4-bromo-2-fluorophenyl)-4-(4-cyanophenyl)piperazine-1-carboxamide
SMILESN#Cc1ccc(N2CCN(C(=O)Nc3ccc(Br)cc3F)CC2)cc1
InChIInChI=1S/C18H16BrFN4O/c19-14-3-6-17(16(20)11-14)22-18(25)24-9-7-23(8-10-24)15-4-1-13(12-21)2-5-15/h1-6,11H,7-10H2,(H,22,25)
InChIKeyVZCSFONRNRBCAF-UHFFFAOYSA-N
XLogP3.81
TPSA59.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.26
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chloro-2-methylphenyl)-4-(4-cyanophenyl)piperazine-1-carboxamide
CID 113113234
N-(4-bromo-2-fluorophenyl)piperazine-1-carboxamide
CID 171854873
4-(4-cyanophenyl)-N-(3,5-dimethylphenyl)piperazine-1-carboxamide
CID 113111826
4-(4-cyanophenyl)-N-phenylpiperazine-1-carboxamide
CID 113081072
N-[2-chloro-5-(trifluoromethyl)phenyl]-4-(4-cyanophenyl)piperazine-1-carboxamide
CID 74227984
N-(2,4-difluorophenyl)-4-(4-nitrophenyl)piperazine-1-carboxamide
CID 2955750
4-(4-tert-butylphenyl)-N-(2,4-difluorophenyl)piperazine-1-carboxamide
CID 113112680
4-(2-cyanophenyl)-N-(2,4-difluorophenyl)piperazine-1-carboxamide
CID 3758236
4-(2-cyanophenyl)-N-(2,4-dibromophenyl)piperazine-1-carboxamide
CID 3815113
N-(4-bromo-2-fluorophenyl)-4-[6-(4-fluorophenyl)pyrimidin-4-yl]piperazine-1-carboxamide
CID 53010095
4-(4-cyanophenyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 23799232
N-(4-bromo-2-fluorophenyl)-4-[3-(trifluoromethyl)quinoxalin-2-yl]piperazine-1-carboxamide
CID 53052206

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-4-(4-cyanophenyl)piperazine-1-carboxamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-4-(4-cyanophenyl)piperazine-1-carboxamide (CID 3860163) is N-(4-bromo-2-fluorophenyl)-4-(4-cyanophenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-4-(4-cyanophenyl)piperazine-1-carboxamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-4-(4-cyanophenyl)piperazine-1-carboxamide is N#Cc1ccc(N2CCN(C(=O)Nc3ccc(Br)cc3F)CC2)cc1.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-4-(4-cyanophenyl)piperazine-1-carboxamide?
The InChIKey is VZCSFONRNRBCAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrFN4O/c19-14-3-6-17(16(20)11-14)22-18(25)24-9-7-23(8-10-24)15-4-1-13(12-21)2-5-15/h1-6,11H,7-10H2,(H,22,25).
What are the key properties of N-(4-bromo-2-fluorophenyl)-4-(4-cyanophenyl)piperazine-1-carboxamide?
N-(4-bromo-2-fluorophenyl)-4-(4-cyanophenyl)piperazine-1-carboxamide has a molecular weight of 403.26 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-4-(4-cyanophenyl)piperazine-1-carboxamide is sourced from PubChem (CID 3860163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).