(2S)-2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(4-fluorophenyl)-2-phenylacetamide

C24H23ClFN3O — CID 32701204

IUPAC(2S)-2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(4-fluorophenyl)-2-phenylacetamide
SMILESO=C(Nc1ccc(F)cc1)[C@H](c1ccccc1)N1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C24H23ClFN3O/c25-21-8-4-5-9-22(21)28-14-16-29(17-15-28)23(18-6-2-1-3-7-18)24(30)27-20-12-10-19(26)11-13-20/h1-13,23H,14-17H2,(H,27,30)/t23-/m0/s1
InChIKeyJOUBYPLEXBCUGZ-QHCPKHFHSA-N
MW423.92 g/mol
LogP4.98
Rot. Bonds5

About (2S)-2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(4-fluorophenyl)-2-phenylacetamide

(2S)-2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(4-fluorophenyl)-2-phenylacetamide (PubChem CID 32701204) has the molecular formula C24H23ClFN3O and a molecular weight of 423.92 g/mol. Its IUPAC name is (2S)-2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(4-fluorophenyl)-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(4-fluorophenyl)-2-phenylacetamide
PubChem CID32701204
Molecular FormulaC24H23ClFN3O
Molecular Weight423.92 g/mol
Exact Mass423.15
IUPAC Name(2S)-2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(4-fluorophenyl)-2-phenylacetamide
SMILESO=C(Nc1ccc(F)cc1)[C@H](c1ccccc1)N1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C24H23ClFN3O/c25-21-8-4-5-9-22(21)28-14-16-29(17-15-28)23(18-6-2-1-3-7-18)24(30)27-20-12-10-19(26)11-13-20/h1-13,23H,14-17H2,(H,27,30)/t23-/m0/s1
InChIKeyJOUBYPLEXBCUGZ-QHCPKHFHSA-N
XLogP4.98
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.92
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-fluorophenyl)-2-phenyl-2-(4-pyridin-4-ylpiperazin-1-yl)acetamide
CID 53384111
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(4-fluorophenyl)-2-phenylacetamide
CID 3431872
N-(4-fluorophenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-phenylacetamide
CID 46561400
(2S)-N-(4-fluorophenyl)-2-[4-[(2S)-1-hydroxybutan-2-yl]piperazin-1-yl]-2-phenylacetamide
CID 124607905
(2R)-N-(4-fluorophenyl)-2-[4-(3-hydroxypropyl)piperazin-1-yl]-2-phenylacetamide
CID 124514274
2-[4-(2-chlorophenyl)piperazin-1-yl]-2-phenylacetamide
CID 17433888
(2S)-N-(4-fluorophenyl)-2-phenyl-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide
CID 41119333
2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-N,2-diphenylacetamide
CID 55470526
1-[2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 43062016
2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(4-methylphenyl)propanamide
CID 42858816
(2R)-2-[4-[(3S)-1,1-dioxothiolan-3-yl]piperazin-1-yl]-N-(4-fluorophenyl)-2-phenylacetamide
CID 30639724
(2R)-N-(4-fluorophenyl)-2-[4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl]-2-phenylacetamide
CID 8774242

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(4-fluorophenyl)-2-phenylacetamide?
The IUPAC name of (2S)-2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(4-fluorophenyl)-2-phenylacetamide (CID 32701204) is (2S)-2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(4-fluorophenyl)-2-phenylacetamide.
What is the SMILES notation for (2S)-2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(4-fluorophenyl)-2-phenylacetamide?
The canonical SMILES for (2S)-2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(4-fluorophenyl)-2-phenylacetamide is O=C(Nc1ccc(F)cc1)[C@H](c1ccccc1)N1CCN(c2ccccc2Cl)CC1.
What is the InChIKey of (2S)-2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(4-fluorophenyl)-2-phenylacetamide?
The InChIKey is JOUBYPLEXBCUGZ-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H23ClFN3O/c25-21-8-4-5-9-22(21)28-14-16-29(17-15-28)23(18-6-2-1-3-7-18)24(30)27-20-12-10-19(26)11-13-20/h1-13,23H,14-17H2,(H,27,30)/t23-/m0/s1.
What are the key properties of (2S)-2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(4-fluorophenyl)-2-phenylacetamide?
(2S)-2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(4-fluorophenyl)-2-phenylacetamide has a molecular weight of 423.92 g/mol, XLogP of 4.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(4-fluorophenyl)-2-phenylacetamide is sourced from PubChem (CID 32701204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).