N-(4-chlorophenyl)-2-[4-(2-fluorobenzoyl)piperazin-1-ium-1-yl]acetamide

C19H20ClFN3O2+ — CID 5061478

IUPACN-(4-chlorophenyl)-2-[4-(2-fluorobenzoyl)piperazin-1-ium-1-yl]acetamide
SMILESO=C(C[NH+]1CCN(C(=O)c2ccccc2F)CC1)Nc1ccc(Cl)cc1
InChIInChI=1S/C19H19ClFN3O2/c20-14-5-7-15(8-6-14)22-18(25)13-23-9-11-24(12-10-23)19(26)16-3-1-2-4-17(16)21/h1-8H,9-13H2,(H,22,25)/p+1
InChIKeyPYRNYABHRAAPTN-UHFFFAOYSA-O
MW376.84 g/mol
LogP1.46
Rot. Bonds4

About N-(4-chlorophenyl)-2-[4-(2-fluorobenzoyl)piperazin-1-ium-1-yl]acetamide

N-(4-chlorophenyl)-2-[4-(2-fluorobenzoyl)piperazin-1-ium-1-yl]acetamide (PubChem CID 5061478) has the molecular formula C19H20ClFN3O2+ and a molecular weight of 376.84 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[4-(2-fluorobenzoyl)piperazin-1-ium-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[4-(2-fluorobenzoyl)piperazin-1-ium-1-yl]acetamide
PubChem CID5061478
Molecular FormulaC19H20ClFN3O2+
Molecular Weight376.84 g/mol
Exact Mass376.12
IUPAC NameN-(4-chlorophenyl)-2-[4-(2-fluorobenzoyl)piperazin-1-ium-1-yl]acetamide
SMILESO=C(C[NH+]1CCN(C(=O)c2ccccc2F)CC1)Nc1ccc(Cl)cc1
InChIInChI=1S/C19H19ClFN3O2/c20-14-5-7-15(8-6-14)22-18(25)13-23-9-11-24(12-10-23)19(26)16-3-1-2-4-17(16)21/h1-8H,9-13H2,(H,22,25)/p+1
InChIKeyPYRNYABHRAAPTN-UHFFFAOYSA-O
XLogP1.46
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.84
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-benzoylpiperazin-1-ium-1-yl)-N-(4-chlorophenyl)acetamide
CID 9223569
2-[4-(2-fluorobenzoyl)piperazin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 9429578
N-[4-(4-chloroanilino)-4-oxobutyl]-4-(2-fluorobenzoyl)piperazine-1-carboxamide
CID 87036549
2-[4-[(4-chlorophenyl)carbamothioyl]piperazin-1-ium-1-yl]-N-(3-fluorophenyl)acetamide
CID 9214271
2-[4-[2-(4-chloroanilino)-2-oxoethyl]piperazine-1,4-diium-1-yl]acetamide
CID 5062155
2-(4-acetylpiperazin-1-ium-1-yl)-N-phenylacetamide
CID 8904289
N-(4-acetylphenyl)-2-(4-benzoylpiperazin-1-ium-1-yl)acetamide
CID 9223591
2-[[2-(4-benzoylpiperazin-1-ium-1-yl)acetyl]amino]-N-(4-fluorophenyl)acetamide
CID 9223309
2-[4-(2,6-difluorobenzoyl)piperazin-1-ium-1-yl]-N-(2-fluorophenyl)acetamide
CID 5072019
N-(2-chlorophenyl)-2-[4-(naphthalene-1-carbonyl)piperazin-1-ium-1-yl]acetamide
CID 9020631
N-(4-fluorophenyl)-2-[4-(1H-indole-2-carbonyl)piperazin-1-ium-1-yl]acetamide
CID 9405101
[4-(2,5-dichlorobenzoyl)piperazin-1-yl]-(2-fluorophenyl)methanone
CID 108533710

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[4-(2-fluorobenzoyl)piperazin-1-ium-1-yl]acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[4-(2-fluorobenzoyl)piperazin-1-ium-1-yl]acetamide (CID 5061478) is N-(4-chlorophenyl)-2-[4-(2-fluorobenzoyl)piperazin-1-ium-1-yl]acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[4-(2-fluorobenzoyl)piperazin-1-ium-1-yl]acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[4-(2-fluorobenzoyl)piperazin-1-ium-1-yl]acetamide is O=C(C[NH+]1CCN(C(=O)c2ccccc2F)CC1)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-[4-(2-fluorobenzoyl)piperazin-1-ium-1-yl]acetamide?
The InChIKey is PYRNYABHRAAPTN-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H19ClFN3O2/c20-14-5-7-15(8-6-14)22-18(25)13-23-9-11-24(12-10-23)19(26)16-3-1-2-4-17(16)21/h1-8H,9-13H2,(H,22,25)/p+1.
What are the key properties of N-(4-chlorophenyl)-2-[4-(2-fluorobenzoyl)piperazin-1-ium-1-yl]acetamide?
N-(4-chlorophenyl)-2-[4-(2-fluorobenzoyl)piperazin-1-ium-1-yl]acetamide has a molecular weight of 376.84 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[4-(2-fluorobenzoyl)piperazin-1-ium-1-yl]acetamide is sourced from PubChem (CID 5061478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).