N-(3,4-difluorophenyl)-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]acetamide

C19H22F2N3O+ — CID 8726037

IUPACN-(3,4-difluorophenyl)-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]acetamide
SMILESCc1ccccc1N1CC[NH+](CC(=O)Nc2ccc(F)c(F)c2)CC1
InChIInChI=1S/C19H21F2N3O/c1-14-4-2-3-5-18(14)24-10-8-23(9-11-24)13-19(25)22-15-6-7-16(20)17(21)12-15/h2-7,12H,8-11,13H2,1H3,(H,22,25)/p+1
InChIKeyQWNRIUAVPNAAMA-UHFFFAOYSA-O
MW346.40 g/mol
LogP1.62
Rot. Bonds4

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

N-(3,4-difluorophenyl)-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]acetamide (PubChem CID 8726037) has the molecular formula C19H22F2N3O+ and a molecular weight of 346.40 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]acetamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]acetamide
PubChem CID8726037
Molecular FormulaC19H22F2N3O+
Molecular Weight346.40 g/mol
Exact Mass346.17
IUPAC NameN-(3,4-difluorophenyl)-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]acetamide
SMILESCc1ccccc1N1CC[NH+](CC(=O)Nc2ccc(F)c(F)c2)CC1
InChIInChI=1S/C19H21F2N3O/c1-14-4-2-3-5-18(14)24-10-8-23(9-11-24)13-19(25)22-15-6-7-16(20)17(21)12-15/h2-7,12H,8-11,13H2,1H3,(H,22,25)/p+1
InChIKeyQWNRIUAVPNAAMA-UHFFFAOYSA-O
XLogP1.62
TPSA36.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.40
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(2,4-dimethylphenyl)piperazin-1-ium-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide
CID 7419228
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]acetamide
CID 8725061
2-[4-(5-chloro-2-methylphenyl)piperazin-1-ium-1-yl]-N-(3-fluorophenyl)acetamide
CID 8591365
2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-(3,4-dimethylphenyl)acetamide
CID 8704659
2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 8726255
2-[4-(5-chloro-2-methylphenyl)piperazin-1-ium-1-yl]-N-(4-methylphenyl)acetamide
CID 8591261
N-(3-chloro-4-fluorophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]acetamide
CID 2653633
N-[3-fluoro-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-2-(4-methylpiperazine-1,4-diium-1-yl)acetamide
CID 6987327
N-(3,4-difluorophenyl)-2-[[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetyl]amino]acetamide
CID 8617123
N-(3-bromophenyl)-2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]acetamide
CID 2117154
2-(azocan-1-ium-1-yl)-N-(3,4-difluorophenyl)acetamide
CID 2655283
N-(5-chloro-2-fluorophenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]acetamide
CID 8582798

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]acetamide?
The IUPAC name of N-(3,4-difluorophenyl)-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]acetamide (CID 8726037) is N-(3,4-difluorophenyl)-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]acetamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]acetamide?
The canonical SMILES for N-(3,4-difluorophenyl)-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]acetamide is Cc1ccccc1N1CC[NH+](CC(=O)Nc2ccc(F)c(F)c2)CC1.
What is the InChIKey of N-(3,4-difluorophenyl)-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]acetamide?
The InChIKey is QWNRIUAVPNAAMA-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H21F2N3O/c1-14-4-2-3-5-18(14)24-10-8-23(9-11-24)13-19(25)22-15-6-7-16(20)17(21)12-15/h2-7,12H,8-11,13H2,1H3,(H,22,25)/p+1.
What are the key properties of N-(3,4-difluorophenyl)-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]acetamide?
N-(3,4-difluorophenyl)-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]acetamide has a molecular weight of 346.40 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]acetamide is sourced from PubChem (CID 8726037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).