N-(2-chlorophenyl)-2-[4-[3-(4-fluorophenyl)propanoyl]piperazin-1-yl]acetamide

C21H23ClFN3O2 — CID 8749055

IUPACN-(2-chlorophenyl)-2-[4-[3-(4-fluorophenyl)propanoyl]piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(C(=O)CCc2ccc(F)cc2)CC1)Nc1ccccc1Cl
InChIInChI=1S/C21H23ClFN3O2/c22-18-3-1-2-4-19(18)24-20(27)15-25-11-13-26(14-12-25)21(28)10-7-16-5-8-17(23)9-6-16/h1-6,8-9H,7,10-15H2,(H,24,27)
InChIKeyHUJFUABLZJHBSV-UHFFFAOYSA-N
MW403.89 g/mol
LogP3.19
Rot. Bonds6

About N-(2-chlorophenyl)-2-[4-[3-(4-fluorophenyl)propanoyl]piperazin-1-yl]acetamide

N-(2-chlorophenyl)-2-[4-[3-(4-fluorophenyl)propanoyl]piperazin-1-yl]acetamide (PubChem CID 8749055) has the molecular formula C21H23ClFN3O2 and a molecular weight of 403.89 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-[4-[3-(4-fluorophenyl)propanoyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-[4-[3-(4-fluorophenyl)propanoyl]piperazin-1-yl]acetamide
PubChem CID8749055
Molecular FormulaC21H23ClFN3O2
Molecular Weight403.89 g/mol
Exact Mass403.15
IUPAC NameN-(2-chlorophenyl)-2-[4-[3-(4-fluorophenyl)propanoyl]piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(C(=O)CCc2ccc(F)cc2)CC1)Nc1ccccc1Cl
InChIInChI=1S/C21H23ClFN3O2/c22-18-3-1-2-4-19(18)24-20(27)15-25-11-13-26(14-12-25)21(28)10-7-16-5-8-17(23)9-6-16/h1-6,8-9H,7,10-15H2,(H,24,27)
InChIKeyHUJFUABLZJHBSV-UHFFFAOYSA-N
XLogP3.19
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.89
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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1-[4-(2-chlorobenzoyl)piperazin-1-yl]-3-(4-fluorophenyl)propan-1-one
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CID 35708070
2-[4-(2-anilinoacetyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide
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N-(2-chlorophenyl)-2-[4-[(2R)-2-(4-fluorophenoxy)propanoyl]piperazin-1-yl]acetamide
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N-(2-chlorophenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride
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CID 2070988
2-[4-[3-(4-methylphenyl)propanoyl]piperazin-1-yl]-N-phenylacetamide
CID 33150190
2-[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide
CID 119833649
N-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)acetamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-[4-[3-(4-fluorophenyl)propanoyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(2-chlorophenyl)-2-[4-[3-(4-fluorophenyl)propanoyl]piperazin-1-yl]acetamide (CID 8749055) is N-(2-chlorophenyl)-2-[4-[3-(4-fluorophenyl)propanoyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-[4-[3-(4-fluorophenyl)propanoyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-[4-[3-(4-fluorophenyl)propanoyl]piperazin-1-yl]acetamide is O=C(CN1CCN(C(=O)CCc2ccc(F)cc2)CC1)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-2-[4-[3-(4-fluorophenyl)propanoyl]piperazin-1-yl]acetamide?
The InChIKey is HUJFUABLZJHBSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClFN3O2/c22-18-3-1-2-4-19(18)24-20(27)15-25-11-13-26(14-12-25)21(28)10-7-16-5-8-17(23)9-6-16/h1-6,8-9H,7,10-15H2,(H,24,27).
What are the key properties of N-(2-chlorophenyl)-2-[4-[3-(4-fluorophenyl)propanoyl]piperazin-1-yl]acetamide?
N-(2-chlorophenyl)-2-[4-[3-(4-fluorophenyl)propanoyl]piperazin-1-yl]acetamide has a molecular weight of 403.89 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-[4-[3-(4-fluorophenyl)propanoyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 8749055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).