4-(2-cyanophenyl)-N-(2,4-dibromophenyl)piperazine-1-carboxamide

C18H16Br2N4O — CID 3815113

IUPAC4-(2-cyanophenyl)-N-(2,4-dibromophenyl)piperazine-1-carboxamide
SMILESN#Cc1ccccc1N1CCN(C(=O)Nc2ccc(Br)cc2Br)CC1
InChIInChI=1S/C18H16Br2N4O/c19-14-5-6-16(15(20)11-14)22-18(25)24-9-7-23(8-10-24)17-4-2-1-3-13(17)12-21/h1-6,11H,7-10H2,(H,22,25)
InChIKeyZFCHIBHGGJDWFP-UHFFFAOYSA-N
MW464.16 g/mol
LogP4.44
Rot. Bonds2

About 4-(2-cyanophenyl)-N-(2,4-dibromophenyl)piperazine-1-carboxamide

4-(2-cyanophenyl)-N-(2,4-dibromophenyl)piperazine-1-carboxamide (PubChem CID 3815113) has the molecular formula C18H16Br2N4O and a molecular weight of 464.16 g/mol. Its IUPAC name is 4-(2-cyanophenyl)-N-(2,4-dibromophenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-cyanophenyl)-N-(2,4-dibromophenyl)piperazine-1-carboxamide
PubChem CID3815113
Molecular FormulaC18H16Br2N4O
Molecular Weight464.16 g/mol
Exact Mass461.97
IUPAC Name4-(2-cyanophenyl)-N-(2,4-dibromophenyl)piperazine-1-carboxamide
SMILESN#Cc1ccccc1N1CCN(C(=O)Nc2ccc(Br)cc2Br)CC1
InChIInChI=1S/C18H16Br2N4O/c19-14-5-6-16(15(20)11-14)22-18(25)24-9-7-23(8-10-24)17-4-2-1-3-13(17)12-21/h1-6,11H,7-10H2,(H,22,25)
InChIKeyZFCHIBHGGJDWFP-UHFFFAOYSA-N
XLogP4.44
TPSA59.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.16
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(2-cyanophenyl)-N-(2,4-dibromophenyl)piperazine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-Bromophenyl)-3-{2-[ethyl(3-methylphenyl)amino]ethyl}urea
CID 9842609
1-(4-Bromophenyl)-3-{2-[ethyl(3-methylphenyl)amino]ethyl}urea
CID 3713930
1-(2-Bromophenyl)-3-{2-[ethyl(2-methylphenyl)amino]ethyl}urea
CID 24768237
1-(2-Bromophenyl)-3-{2-[ethyl(4-methylphenyl)amino]ethyl}urea
CID 24768238
urea TRPV1 antagonist, 21
CID 24768243
1-(2-Bromophenyl)-3-{2-[methyl(3-methylphenyl)amino]ethyl}urea
CID 24768233
N-(4-Bromo-3-methyl-phenyl)-2-[4-(2-cyano-phenyl)-piperazin-1-yl]-acetamide
CID 44393797
1-Benzyl-3-(4-bromophenyl)-1-(1-pentan-2-ylpiperidin-4-yl)urea
CID 126711301
2-[4-(4-Bromo-2-cyano-phenyl)-piperazin-1-yl]-N-(2,4,6-tribromo-3-methyl-phenyl)-acetamide
CID 44393737
1-Benzyl-3-(4-bromo-2-methylphenyl)-1-(1-pentan-2-ylpiperidin-4-yl)urea
CID 126711384
1,1-Dibenzyl-3-(4-bromophenyl)urea
CID 4454830
4-(3,4-Dibromo-benzyl)-piperazine-1-carboxylic acid phenylamide
CID 11648132

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyanophenyl)-N-(2,4-dibromophenyl)piperazine-1-carboxamide?
The IUPAC name of 4-(2-cyanophenyl)-N-(2,4-dibromophenyl)piperazine-1-carboxamide (CID 3815113) is 4-(2-cyanophenyl)-N-(2,4-dibromophenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(2-cyanophenyl)-N-(2,4-dibromophenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(2-cyanophenyl)-N-(2,4-dibromophenyl)piperazine-1-carboxamide is N#Cc1ccccc1N1CCN(C(=O)Nc2ccc(Br)cc2Br)CC1.
What is the InChIKey of 4-(2-cyanophenyl)-N-(2,4-dibromophenyl)piperazine-1-carboxamide?
The InChIKey is ZFCHIBHGGJDWFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Br2N4O/c19-14-5-6-16(15(20)11-14)22-18(25)24-9-7-23(8-10-24)17-4-2-1-3-13(17)12-21/h1-6,11H,7-10H2,(H,22,25).
What are the key properties of 4-(2-cyanophenyl)-N-(2,4-dibromophenyl)piperazine-1-carboxamide?
4-(2-cyanophenyl)-N-(2,4-dibromophenyl)piperazine-1-carboxamide has a molecular weight of 464.16 g/mol, XLogP of 4.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyanophenyl)-N-(2,4-dibromophenyl)piperazine-1-carboxamide is sourced from PubChem (CID 3815113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).