4-[(4-bromophenyl)-(2-chlorophenyl)methyl]-N-cyclohexylpiperazine-1-carboxamide

C24H29BrClN3O — CID 25113749

IUPAC4-[(4-bromophenyl)-(2-chlorophenyl)methyl]-N-cyclohexylpiperazine-1-carboxamide
SMILESO=C(NC1CCCCC1)N1CCN(C(c2ccc(Br)cc2)c2ccccc2Cl)CC1
InChIInChI=1S/C24H29BrClN3O/c25-19-12-10-18(11-13-19)23(21-8-4-5-9-22(21)26)28-14-16-29(17-15-28)24(30)27-20-6-2-1-3-7-20/h4-5,8-13,20,23H,1-3,6-7,14-17H2,(H,27,30)
InChIKeyPOTQARLKMQWNDY-UHFFFAOYSA-N
MW490.87 g/mol
LogP5.85
Rot. Bonds4

About 4-[(4-bromophenyl)-(2-chlorophenyl)methyl]-N-cyclohexylpiperazine-1-carboxamide

4-[(4-bromophenyl)-(2-chlorophenyl)methyl]-N-cyclohexylpiperazine-1-carboxamide (PubChem CID 25113749) has the molecular formula C24H29BrClN3O and a molecular weight of 490.87 g/mol. Its IUPAC name is 4-[(4-bromophenyl)-(2-chlorophenyl)methyl]-N-cyclohexylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[(4-bromophenyl)-(2-chlorophenyl)methyl]-N-cyclohexylpiperazine-1-carboxamide
PubChem CID25113749
Molecular FormulaC24H29BrClN3O
Molecular Weight490.87 g/mol
Exact Mass489.12
IUPAC Name4-[(4-bromophenyl)-(2-chlorophenyl)methyl]-N-cyclohexylpiperazine-1-carboxamide
SMILESO=C(NC1CCCCC1)N1CCN(C(c2ccc(Br)cc2)c2ccccc2Cl)CC1
InChIInChI=1S/C24H29BrClN3O/c25-19-12-10-18(11-13-19)23(21-8-4-5-9-22(21)26)28-14-16-29(17-15-28)24(30)27-20-6-2-1-3-7-20/h4-5,8-13,20,23H,1-3,6-7,14-17H2,(H,27,30)
InChIKeyPOTQARLKMQWNDY-UHFFFAOYSA-N
XLogP5.85
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.87
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[(4-bromophenyl)-(2-chlorophenyl)methyl]-N-cyclohexylpiperazine-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

4-((4-Chlorophenyl)(2,4-dichlorophenyl)methyl)-N-cyclohexylpiperazine-1-carboxamide
CID 44176908
N-Cyclohexyl-4-[(2,4-dichlorophenyl)(p-tolyl)methyl]piperazine-1-carboxamide
CID 44177373
N-cyclohexyl-4-[(S)-(2,4-dichlorophenyl)-(4-methylphenyl)methyl]piperazine-1-carboxamide
CID 56930624
1-[(4-Bromophenyl)(4-chlorophenyl)methyl]piperazine
CID 5171490
N-benzhydryl-4-[(2-chlorophenyl)-phenylmethyl]piperazine-1-carboxamide
CID 11620221
N-Butyl-4-[(2,4-dichlorophenyl)(phenyl)methyl]piperazine-1-carboxamide
CID 44177148
N-Cyclohexyl-4-[(2,4-dichlorophenyl)(phenyl)methyl]-piperazine-1-carboxamide
CID 44177149
4-[(3-chlorophenyl)(2,4-dichlorophenyl)methyl]-N-cyclohexylpiperazine-1-carboxamide
CID 44177371
N-cyclohexyl-4-((2,5-dichlorophenyl)(phenyl)methyl)piperazine-1-carboxamide
CID 44177475
4-[(4-bromo-2-fluorophenyl)(phenyl)methyl]-N-cyclohexylpiperazine-1-carboxamide
CID 44177476
N-cyclohexyl-4-[(2,6-dichlorophenyl)(phenyl)methyl]piperazine-1-carboxamide
CID 44177477
4-[(2-chloro-4-fluorophenyl)(phenyl)methyl]-N-cyclohexylpiperazine-1-carboxamide
CID 44177478

Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromophenyl)-(2-chlorophenyl)methyl]-N-cyclohexylpiperazine-1-carboxamide?
The IUPAC name of 4-[(4-bromophenyl)-(2-chlorophenyl)methyl]-N-cyclohexylpiperazine-1-carboxamide (CID 25113749) is 4-[(4-bromophenyl)-(2-chlorophenyl)methyl]-N-cyclohexylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[(4-bromophenyl)-(2-chlorophenyl)methyl]-N-cyclohexylpiperazine-1-carboxamide?
The canonical SMILES for 4-[(4-bromophenyl)-(2-chlorophenyl)methyl]-N-cyclohexylpiperazine-1-carboxamide is O=C(NC1CCCCC1)N1CCN(C(c2ccc(Br)cc2)c2ccccc2Cl)CC1.
What is the InChIKey of 4-[(4-bromophenyl)-(2-chlorophenyl)methyl]-N-cyclohexylpiperazine-1-carboxamide?
The InChIKey is POTQARLKMQWNDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29BrClN3O/c25-19-12-10-18(11-13-19)23(21-8-4-5-9-22(21)26)28-14-16-29(17-15-28)24(30)27-20-6-2-1-3-7-20/h4-5,8-13,20,23H,1-3,6-7,14-17H2,(H,27,30).
What are the key properties of 4-[(4-bromophenyl)-(2-chlorophenyl)methyl]-N-cyclohexylpiperazine-1-carboxamide?
4-[(4-bromophenyl)-(2-chlorophenyl)methyl]-N-cyclohexylpiperazine-1-carboxamide has a molecular weight of 490.87 g/mol, XLogP of 5.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromophenyl)-(2-chlorophenyl)methyl]-N-cyclohexylpiperazine-1-carboxamide is sourced from PubChem (CID 25113749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).