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

C22H26ClFN4O2 — CID 34209125

IUPACN-(2-chlorophenyl)-2-[[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-methylamino]acetamide
SMILESCN(CCC(=O)N1CCN(c2ccc(F)cc2)CC1)CC(=O)Nc1ccccc1Cl
InChIInChI=1S/C22H26ClFN4O2/c1-26(16-21(29)25-20-5-3-2-4-19(20)23)11-10-22(30)28-14-12-27(13-15-28)18-8-6-17(24)7-9-18/h2-9H,10-16H2,1H3,(H,25,29)
InChIKeySEAHEXCPHZNLFO-UHFFFAOYSA-N
MW432.93 g/mol
LogP3.09
Rot. Bonds7

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

N-(2-chlorophenyl)-2-[[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-methylamino]acetamide (PubChem CID 34209125) has the molecular formula C22H26ClFN4O2 and a molecular weight of 432.93 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-[[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-methylamino]acetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-[[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-methylamino]acetamide
PubChem CID34209125
Molecular FormulaC22H26ClFN4O2
Molecular Weight432.93 g/mol
Exact Mass432.17
IUPAC NameN-(2-chlorophenyl)-2-[[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-methylamino]acetamide
SMILESCN(CCC(=O)N1CCN(c2ccc(F)cc2)CC1)CC(=O)Nc1ccccc1Cl
InChIInChI=1S/C22H26ClFN4O2/c1-26(16-21(29)25-20-5-3-2-4-19(20)23)11-10-22(30)28-14-12-27(13-15-28)18-8-6-17(24)7-9-18/h2-9H,10-16H2,1H3,(H,25,29)
InChIKeySEAHEXCPHZNLFO-UHFFFAOYSA-N
XLogP3.09
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.93
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-2-methylphenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropanamide
CID 108949524
N-(2-chlorophenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]acetamide
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ethyl 4-[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]acetyl]piperazine-1-carboxylate
CID 9038050
N-[2-(2-chloroanilino)-2-oxoethyl]-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-N-methylbenzamide
CID 24817993
N-(2-chlorophenyl)-2-[4-[3-(4-fluorophenyl)propanoyl]piperazin-1-yl]acetamide
CID 8749055
4-(4-acetylpiperazin-1-yl)-N-(2-chlorophenyl)-4-oxobutanamide
CID 9032040
1-[4-(4-fluorophenyl)piperazin-1-yl]-3-[methyl-(1-methylpiperidin-4-yl)amino]propan-1-one
CID 110839307
2-[cyclopropyl-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]amino]-N-(2,6-dimethylphenyl)acetamide
CID 84561922
N-(2-chlorophenyl)-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide
CID 109037833
N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-2-(4-phenylpiperazin-1-yl)acetamide
CID 17486565
N-(3-fluorophenyl)-2-[methyl-(3-oxo-3-piperazin-1-ylpropyl)amino]acetamide
CID 120980407
3-[benzyl(propan-2-yl)amino]-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-[[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-methylamino]acetamide?
The IUPAC name of N-(2-chlorophenyl)-2-[[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-methylamino]acetamide (CID 34209125) is N-(2-chlorophenyl)-2-[[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-methylamino]acetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-[[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-methylamino]acetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-[[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-methylamino]acetamide is CN(CCC(=O)N1CCN(c2ccc(F)cc2)CC1)CC(=O)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-2-[[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-methylamino]acetamide?
The InChIKey is SEAHEXCPHZNLFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClFN4O2/c1-26(16-21(29)25-20-5-3-2-4-19(20)23)11-10-22(30)28-14-12-27(13-15-28)18-8-6-17(24)7-9-18/h2-9H,10-16H2,1H3,(H,25,29).
What are the key properties of N-(2-chlorophenyl)-2-[[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-methylamino]acetamide?
N-(2-chlorophenyl)-2-[[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-methylamino]acetamide has a molecular weight of 432.93 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-[[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-methylamino]acetamide is sourced from PubChem (CID 34209125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).