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

C19H22ClFN3O2+ — CID 3703732

IUPACN-(3-chloro-4-methoxyphenyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetamide
SMILESCOc1ccc(NC(=O)C[NH+]2CCN(c3ccc(F)cc3)CC2)cc1Cl
InChIInChI=1S/C19H21ClFN3O2/c1-26-18-7-4-15(12-17(18)20)22-19(25)13-23-8-10-24(11-9-23)16-5-2-14(21)3-6-16/h2-7,12H,8-11,13H2,1H3,(H,22,25)/p+1
InChIKeyRUYLLQRMQPVKKP-UHFFFAOYSA-O
MW378.86 g/mol
LogP1.83
Rot. Bonds5

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

N-(3-chloro-4-methoxyphenyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetamide (PubChem CID 3703732) has the molecular formula C19H22ClFN3O2+ and a molecular weight of 378.86 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetamide
PubChem CID3703732
Molecular FormulaC19H22ClFN3O2+
Molecular Weight378.86 g/mol
Exact Mass378.14
IUPAC NameN-(3-chloro-4-methoxyphenyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetamide
SMILESCOc1ccc(NC(=O)C[NH+]2CCN(c3ccc(F)cc3)CC2)cc1Cl
InChIInChI=1S/C19H21ClFN3O2/c1-26-18-7-4-15(12-17(18)20)22-19(25)13-23-8-10-24(11-9-23)16-5-2-14(21)3-6-16/h2-7,12H,8-11,13H2,1H3,(H,22,25)/p+1
InChIKeyRUYLLQRMQPVKKP-UHFFFAOYSA-O
XLogP1.83
TPSA46.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.86
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,5-dichlorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetamide
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N-(3-chloro-4-methoxyphenyl)-2-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]acetamide
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N-(3-chloro-4-methoxyphenyl)-4-(4-fluorophenyl)piperazine-1-carboxamide
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2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-(4-propan-2-ylphenyl)acetamide
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N-(4-bromo-3-methylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetamide
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2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide
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2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-(2-methoxy-5-nitrophenyl)acetamide
CID 7016919
N-(3-chloro-4-methoxyphenyl)-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide
CID 2655699
2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-N-naphthalen-2-ylacetamide
CID 2483117
2-[4-(3-fluoro-4-methoxybenzoyl)piperazin-1-ium-1-yl]-N-(4-fluorophenyl)acetamide
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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetamide (CID 3703732) is N-(3-chloro-4-methoxyphenyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetamide is COc1ccc(NC(=O)C[NH+]2CCN(c3ccc(F)cc3)CC2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetamide?
The InChIKey is RUYLLQRMQPVKKP-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H21ClFN3O2/c1-26-18-7-4-15(12-17(18)20)22-19(25)13-23-8-10-24(11-9-23)16-5-2-14(21)3-6-16/h2-7,12H,8-11,13H2,1H3,(H,22,25)/p+1.
What are the key properties of N-(3-chloro-4-methoxyphenyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetamide?
N-(3-chloro-4-methoxyphenyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetamide has a molecular weight of 378.86 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetamide is sourced from PubChem (CID 3703732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).