(4-chloro-3-nitrophenyl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone

C17H15Cl2N3O3 — CID 3113382

IUPAC(4-chloro-3-nitrophenyl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C17H15Cl2N3O3/c18-13-2-1-3-14(11-13)20-6-8-21(9-7-20)17(23)12-4-5-15(19)16(10-12)22(24)25/h1-5,10-11H,6-9H2
InChIKeyDIZFNAIWFZCPCW-UHFFFAOYSA-N
MW380.23 g/mol
LogP3.86
Rot. Bonds3

About (4-chloro-3-nitrophenyl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone

(4-chloro-3-nitrophenyl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone (PubChem CID 3113382) has the molecular formula C17H15Cl2N3O3 and a molecular weight of 380.23 g/mol. Its IUPAC name is (4-chloro-3-nitrophenyl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-chloro-3-nitrophenyl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone
PubChem CID3113382
Molecular FormulaC17H15Cl2N3O3
Molecular Weight380.23 g/mol
Exact Mass379.05
IUPAC Name(4-chloro-3-nitrophenyl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C17H15Cl2N3O3/c18-13-2-1-3-14(11-13)20-6-8-21(9-7-20)17(23)12-4-5-15(19)16(10-12)22(24)25/h1-5,10-11H,6-9H2
InChIKeyDIZFNAIWFZCPCW-UHFFFAOYSA-N
XLogP3.86
TPSA66.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.23
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(4-Chloro-3-nitrophenyl)(4-(2-fluorophenyl)piperazin-1-yl)methanone
CID 1334619
1-(2-Chloro-5-nitrobenzoyl)-4-phenylpiperazine
CID 710808
Filastatin
CID 2911546
(2-Chloro-5-nitrophenyl)[4-(4-fluorophenyl)-1-piperazinyl]methanone
CID 1104888
1-(3-Chlorophenyl)-4-(4-methylbenzoyl)piperazine
CID 749123
4-chloro-3-nitro-N-(2-phenylethyl)benzamide
CID 795980
1-(4-Chlorobenzoyl)-4-(4-chlorophenyl)piperazine
CID 897167
(2-Chloro-5-nitrophenyl)-(4-methylpiperazin-1-yl)methanone
CID 717962
4-chloro-N-(2,5-dichlorophenyl)-3-nitrobenzamide
CID 711259
1-(4-Chlorophenyl)-3-(4-(4-nitrophenyl)-1-piperazinyl)-1-propanone
CID 3498566
Methanone, (4-chlorophenyl)[4-(4-fluorophenyl)-1-piperazinyl]-
CID 720118
1-Benzyl-4-(2-chloro-5-nitrobenzoyl)piperazine
CID 1070122

Frequently Asked Questions

What is the IUPAC name of (4-chloro-3-nitrophenyl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone?
The IUPAC name of (4-chloro-3-nitrophenyl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone (CID 3113382) is (4-chloro-3-nitrophenyl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-chloro-3-nitrophenyl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for (4-chloro-3-nitrophenyl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone is O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of (4-chloro-3-nitrophenyl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone?
The InChIKey is DIZFNAIWFZCPCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2N3O3/c18-13-2-1-3-14(11-13)20-6-8-21(9-7-20)17(23)12-4-5-15(19)16(10-12)22(24)25/h1-5,10-11H,6-9H2.
What are the key properties of (4-chloro-3-nitrophenyl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone?
(4-chloro-3-nitrophenyl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone has a molecular weight of 380.23 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-3-nitrophenyl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 3113382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).