(2-bromophenyl)-[4-(4-chlorophenyl)piperazin-1-yl]methanone

C17H16BrClN2O — CID 1010040

IUPAC(2-bromophenyl)-[4-(4-chlorophenyl)piperazin-1-yl]methanone
SMILESO=C(c1ccccc1Br)N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H16BrClN2O/c18-16-4-2-1-3-15(16)17(22)21-11-9-20(10-12-21)14-7-5-13(19)6-8-14/h1-8H,9-12H2
InChIKeyCWPKPVMRLPQGIA-UHFFFAOYSA-N
MW379.69 g/mol
LogP4.06
Rot. Bonds2

About (2-bromophenyl)-[4-(4-chlorophenyl)piperazin-1-yl]methanone

(2-bromophenyl)-[4-(4-chlorophenyl)piperazin-1-yl]methanone (PubChem CID 1010040) has the molecular formula C17H16BrClN2O and a molecular weight of 379.69 g/mol. Its IUPAC name is (2-bromophenyl)-[4-(4-chlorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-bromophenyl)-[4-(4-chlorophenyl)piperazin-1-yl]methanone
PubChem CID1010040
Molecular FormulaC17H16BrClN2O
Molecular Weight379.69 g/mol
Exact Mass378.01
IUPAC Name(2-bromophenyl)-[4-(4-chlorophenyl)piperazin-1-yl]methanone
SMILESO=C(c1ccccc1Br)N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H16BrClN2O/c18-16-4-2-1-3-15(16)17(22)21-11-9-20(10-12-21)14-7-5-13(19)6-8-14/h1-8H,9-12H2
InChIKeyCWPKPVMRLPQGIA-UHFFFAOYSA-N
XLogP4.06
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.69
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2-bromophenyl)-[4-(4-chlorophenyl)piperazin-1-yl]methanone 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

2-bromo-N-(3-chlorophenyl)benzamide
CID 532188
1-(3-Chlorophenyl)-4-(4-methylbenzoyl)piperazine
CID 749123
4-(3-Chlorophenyl)piperazinyl 3-methylphenyl ketone
CID 4006554
N-(2-(4-(4-chlorophenyl)piperazin-1-yl)ethyl)-4-fluorobenzamide
CID 42266988
2-(4-(4-Chlorophenyl)-1-piperazinyl)-1-phenylethanone
CID 1477078
1-(4-Chlorobenzoyl)-4-(4-chlorophenyl)piperazine
CID 897167
Methanone, (4-chlorophenyl)[4-(4-fluorophenyl)-1-piperazinyl]-
CID 720118
1-(3-Chlorophenyl)-4-(4-fluorobenzoyl)piperazine
CID 681767
1-(3-Chlorophenyl)-4-[(3-chlorophenyl)carbonyl]piperazine
CID 702506
N-(1-benzylpiperidin-4-yl)-N-(4-bromophenyl)-4-chlorobenzamide
CID 44318782
1-[4-(4-Chlorophenyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 757895
Piperazine amide, 6k
CID 44236968

Frequently Asked Questions

What is the IUPAC name of (2-bromophenyl)-[4-(4-chlorophenyl)piperazin-1-yl]methanone?
The IUPAC name of (2-bromophenyl)-[4-(4-chlorophenyl)piperazin-1-yl]methanone (CID 1010040) is (2-bromophenyl)-[4-(4-chlorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (2-bromophenyl)-[4-(4-chlorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for (2-bromophenyl)-[4-(4-chlorophenyl)piperazin-1-yl]methanone is O=C(c1ccccc1Br)N1CCN(c2ccc(Cl)cc2)CC1.
What is the InChIKey of (2-bromophenyl)-[4-(4-chlorophenyl)piperazin-1-yl]methanone?
The InChIKey is CWPKPVMRLPQGIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrClN2O/c18-16-4-2-1-3-15(16)17(22)21-11-9-20(10-12-21)14-7-5-13(19)6-8-14/h1-8H,9-12H2.
What are the key properties of (2-bromophenyl)-[4-(4-chlorophenyl)piperazin-1-yl]methanone?
(2-bromophenyl)-[4-(4-chlorophenyl)piperazin-1-yl]methanone has a molecular weight of 379.69 g/mol, XLogP of 4.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromophenyl)-[4-(4-chlorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 1010040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).