2-[4-(3,4-dichlorobenzoyl)piperazin-1-ium-1-yl]-N-(3-fluorophenyl)acetamide

C19H19Cl2FN3O2+ — CID 9020364

IUPAC2-[4-(3,4-dichlorobenzoyl)piperazin-1-ium-1-yl]-N-(3-fluorophenyl)acetamide
SMILESO=C(C[NH+]1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1)Nc1cccc(F)c1
InChIInChI=1S/C19H18Cl2FN3O2/c20-16-5-4-13(10-17(16)21)19(27)25-8-6-24(7-9-25)12-18(26)23-15-3-1-2-14(22)11-15/h1-5,10-11H,6-9,12H2,(H,23,26)/p+1
InChIKeyHHGDMUUXIQAIQR-UHFFFAOYSA-O
MW411.28 g/mol
LogP2.11
Rot. Bonds4

About 2-[4-(3,4-dichlorobenzoyl)piperazin-1-ium-1-yl]-N-(3-fluorophenyl)acetamide

2-[4-(3,4-dichlorobenzoyl)piperazin-1-ium-1-yl]-N-(3-fluorophenyl)acetamide (PubChem CID 9020364) has the molecular formula C19H19Cl2FN3O2+ and a molecular weight of 411.28 g/mol. Its IUPAC name is 2-[4-(3,4-dichlorobenzoyl)piperazin-1-ium-1-yl]-N-(3-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-(3,4-dichlorobenzoyl)piperazin-1-ium-1-yl]-N-(3-fluorophenyl)acetamide
PubChem CID9020364
Molecular FormulaC19H19Cl2FN3O2+
Molecular Weight411.28 g/mol
Exact Mass410.08
IUPAC Name2-[4-(3,4-dichlorobenzoyl)piperazin-1-ium-1-yl]-N-(3-fluorophenyl)acetamide
SMILESO=C(C[NH+]1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1)Nc1cccc(F)c1
InChIInChI=1S/C19H18Cl2FN3O2/c20-16-5-4-13(10-17(16)21)19(27)25-8-6-24(7-9-25)12-18(26)23-15-3-1-2-14(22)11-15/h1-5,10-11H,6-9,12H2,(H,23,26)/p+1
InChIKeyHHGDMUUXIQAIQR-UHFFFAOYSA-O
XLogP2.11
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.28
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-fluorophenyl)-2-[4-[4-(2-methylpropyl)benzoyl]piperazin-1-ium-1-yl]acetamide
CID 9020358
2-[4-[(4-chlorophenyl)carbamothioyl]piperazin-1-ium-1-yl]-N-(3-fluorophenyl)acetamide
CID 9214271
1-(3,4-dichlorobenzoyl)-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 113008225
2-[4-[2-(4-acetamidophenyl)acetyl]piperazin-1-ium-1-yl]-N-(3-fluorophenyl)acetamide
CID 8732738
2-[4-(5-chloro-2-methylphenyl)piperazin-1-ium-1-yl]-N-(3-fluorophenyl)acetamide
CID 8591365
2-[4-[(2-chlorophenyl)methyl]piperazine-1,4-diium-1-yl]-N-(3-fluorophenyl)acetamide
CID 8711088
2-[4-(3-acetamidobenzoyl)piperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 9021512
N-(3-fluorophenyl)-2-morpholin-4-ium-4-ylacetamide
CID 2654034
2-[4-(4-chloro-2-nitrophenyl)piperazin-1-ium-1-yl]-N-(3-fluorophenyl)acetamide
CID 9338213
2-(4-benzoylpiperazin-1-ium-1-yl)-N-(4-chlorophenyl)acetamide
CID 9223569
2-[4-(3-fluoro-4-methoxybenzoyl)piperazin-1-ium-1-yl]-N-(4-fluorophenyl)acetamide
CID 8749252
2-[4-(2-cyanophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(3-fluorophenyl)acetamide
CID 9286826

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,4-dichlorobenzoyl)piperazin-1-ium-1-yl]-N-(3-fluorophenyl)acetamide?
The IUPAC name of 2-[4-(3,4-dichlorobenzoyl)piperazin-1-ium-1-yl]-N-(3-fluorophenyl)acetamide (CID 9020364) is 2-[4-(3,4-dichlorobenzoyl)piperazin-1-ium-1-yl]-N-(3-fluorophenyl)acetamide.
What is the SMILES notation for 2-[4-(3,4-dichlorobenzoyl)piperazin-1-ium-1-yl]-N-(3-fluorophenyl)acetamide?
The canonical SMILES for 2-[4-(3,4-dichlorobenzoyl)piperazin-1-ium-1-yl]-N-(3-fluorophenyl)acetamide is O=C(C[NH+]1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1)Nc1cccc(F)c1.
What is the InChIKey of 2-[4-(3,4-dichlorobenzoyl)piperazin-1-ium-1-yl]-N-(3-fluorophenyl)acetamide?
The InChIKey is HHGDMUUXIQAIQR-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H18Cl2FN3O2/c20-16-5-4-13(10-17(16)21)19(27)25-8-6-24(7-9-25)12-18(26)23-15-3-1-2-14(22)11-15/h1-5,10-11H,6-9,12H2,(H,23,26)/p+1.
What are the key properties of 2-[4-(3,4-dichlorobenzoyl)piperazin-1-ium-1-yl]-N-(3-fluorophenyl)acetamide?
2-[4-(3,4-dichlorobenzoyl)piperazin-1-ium-1-yl]-N-(3-fluorophenyl)acetamide has a molecular weight of 411.28 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,4-dichlorobenzoyl)piperazin-1-ium-1-yl]-N-(3-fluorophenyl)acetamide is sourced from PubChem (CID 9020364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).