N-(3-chloro-4-cyanophenyl)-2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]acetamide

C19H19ClFN4O+ — CID 2086316

IUPACN-(3-chloro-4-cyanophenyl)-2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]acetamide
SMILESN#Cc1ccc(NC(=O)C[NH+]2CCN(c3ccccc3F)CC2)cc1Cl
InChIInChI=1S/C19H18ClFN4O/c20-16-11-15(6-5-14(16)12-22)23-19(26)13-24-7-9-25(10-8-24)18-4-2-1-3-17(18)21/h1-6,11H,7-10,13H2,(H,23,26)/p+1
InChIKeyNDWLFBRUMSVVAN-UHFFFAOYSA-O
MW373.84 g/mol
LogP1.69
Rot. Bonds4

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

N-(3-chloro-4-cyanophenyl)-2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]acetamide (PubChem CID 2086316) has the molecular formula C19H19ClFN4O+ and a molecular weight of 373.84 g/mol. Its IUPAC name is N-(3-chloro-4-cyanophenyl)-2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-cyanophenyl)-2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]acetamide
PubChem CID2086316
Molecular FormulaC19H19ClFN4O+
Molecular Weight373.84 g/mol
Exact Mass373.12
IUPAC NameN-(3-chloro-4-cyanophenyl)-2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]acetamide
SMILESN#Cc1ccc(NC(=O)C[NH+]2CCN(c3ccccc3F)CC2)cc1Cl
InChIInChI=1S/C19H18ClFN4O/c20-16-11-15(6-5-14(16)12-22)23-19(26)13-24-7-9-25(10-8-24)18-4-2-1-3-17(18)21/h1-6,11H,7-10,13H2,(H,23,26)/p+1
InChIKeyNDWLFBRUMSVVAN-UHFFFAOYSA-O
XLogP1.69
TPSA60.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.84
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(3-chloro-4-cyanophenyl)-2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]acetamide 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

N-(3-chloro-4-cyanophenyl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide
CID 2685105
2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-(4-cyanophenyl)acetamide
CID 8528279
2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-N-(2,4,5-trichlorophenyl)acetamide
CID 2539642
N-(3-bromophenyl)-2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]acetamide
CID 2117154
N-(3-chloro-4-fluorophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]acetamide
CID 2653633
N-(4-chloro-2-fluorophenyl)-2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]acetamide
CID 2654092
2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-N-(3-nitrophenyl)acetamide
CID 6978066
N-(3-chloro-4-cyanophenyl)-2-(4-methylpiperidin-1-ium-1-yl)acetamide
CID 2655081
N-(3,4-difluorophenyl)-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]acetamide
CID 8726037
2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-(3,4-dimethylphenyl)acetamide
CID 8704659
N-(3-chlorophenyl)-3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]propanamide
CID 7027960
N-(2-bromophenyl)-2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]acetamide
CID 2064231

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-cyanophenyl)-2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]acetamide?
The IUPAC name of N-(3-chloro-4-cyanophenyl)-2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]acetamide (CID 2086316) is N-(3-chloro-4-cyanophenyl)-2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]acetamide.
What is the SMILES notation for N-(3-chloro-4-cyanophenyl)-2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]acetamide?
The canonical SMILES for N-(3-chloro-4-cyanophenyl)-2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]acetamide is N#Cc1ccc(NC(=O)C[NH+]2CCN(c3ccccc3F)CC2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-cyanophenyl)-2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]acetamide?
The InChIKey is NDWLFBRUMSVVAN-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H18ClFN4O/c20-16-11-15(6-5-14(16)12-22)23-19(26)13-24-7-9-25(10-8-24)18-4-2-1-3-17(18)21/h1-6,11H,7-10,13H2,(H,23,26)/p+1.
What are the key properties of N-(3-chloro-4-cyanophenyl)-2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]acetamide?
N-(3-chloro-4-cyanophenyl)-2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]acetamide has a molecular weight of 373.84 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-cyanophenyl)-2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]acetamide is sourced from PubChem (CID 2086316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).