4-[4-[2-[1-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl]piperazin-1-yl]benzamide

C21H24Cl2N4O2 — CID 86969617

IUPAC4-[4-[2-[1-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl]piperazin-1-yl]benzamide
SMILESCC(NC(=O)CN1CCN(c2ccc(C(N)=O)cc2)CC1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C21H24Cl2N4O2/c1-14(18-7-4-16(22)12-19(18)23)25-20(28)13-26-8-10-27(11-9-26)17-5-2-15(3-6-17)21(24)29/h2-7,12,14H,8-11,13H2,1H3,(H2,24,29)(H,25,28)
InChIKeyZDIVKRJUUKLLCH-UHFFFAOYSA-N
MW435.36 g/mol
LogP3.09
Rot. Bonds6

About 4-[4-[2-[1-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl]piperazin-1-yl]benzamide

4-[4-[2-[1-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl]piperazin-1-yl]benzamide (PubChem CID 86969617) has the molecular formula C21H24Cl2N4O2 and a molecular weight of 435.36 g/mol. Its IUPAC name is 4-[4-[2-[1-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl]piperazin-1-yl]benzamide.

Molecular Properties

Compound Name4-[4-[2-[1-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl]piperazin-1-yl]benzamide
PubChem CID86969617
Molecular FormulaC21H24Cl2N4O2
Molecular Weight435.36 g/mol
Exact Mass434.13
IUPAC Name4-[4-[2-[1-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl]piperazin-1-yl]benzamide
SMILESCC(NC(=O)CN1CCN(c2ccc(C(N)=O)cc2)CC1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C21H24Cl2N4O2/c1-14(18-7-4-16(22)12-19(18)23)25-20(28)13-26-8-10-27(11-9-26)17-5-2-15(3-6-17)21(24)29/h2-7,12,14H,8-11,13H2,1H3,(H2,24,29)(H,25,28)
InChIKeyZDIVKRJUUKLLCH-UHFFFAOYSA-N
XLogP3.09
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.36
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-piperidin-1-ylacetamide
CID 8894515
N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2-piperidin-1-ylacetamide
CID 8894518
2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]acetamide
CID 30725870
N-[1-(2,4-dichlorophenyl)ethyl]-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide
CID 55470483
ethyl 1-[2-[1-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl]piperidine-4-carboxylate
CID 51170749
2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(1-phenylethyl)acetamide
CID 6464684
N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]acetamide
CID 8899220
N-[(1R)-1-(2-chlorophenyl)ethyl]-2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide
CID 8590785
N-[1-(2,4-dichlorophenyl)ethyl]-2-(2-methylmorpholin-4-yl)acetamide
CID 46677677
1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-[4-(4-methylpiperazin-1-yl)phenyl]urea
CID 51945516
N-[(1S)-1-(3-chlorophenyl)ethyl]-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide
CID 8587355
4-[4-[1-(2,5-dichloroanilino)-1-oxopropan-2-yl]piperazin-1-yl]benzamide
CID 86969657

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-[1-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl]piperazin-1-yl]benzamide?
The IUPAC name of 4-[4-[2-[1-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl]piperazin-1-yl]benzamide (CID 86969617) is 4-[4-[2-[1-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl]piperazin-1-yl]benzamide.
What is the SMILES notation for 4-[4-[2-[1-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl]piperazin-1-yl]benzamide?
The canonical SMILES for 4-[4-[2-[1-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl]piperazin-1-yl]benzamide is CC(NC(=O)CN1CCN(c2ccc(C(N)=O)cc2)CC1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 4-[4-[2-[1-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl]piperazin-1-yl]benzamide?
The InChIKey is ZDIVKRJUUKLLCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24Cl2N4O2/c1-14(18-7-4-16(22)12-19(18)23)25-20(28)13-26-8-10-27(11-9-26)17-5-2-15(3-6-17)21(24)29/h2-7,12,14H,8-11,13H2,1H3,(H2,24,29)(H,25,28).
What are the key properties of 4-[4-[2-[1-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl]piperazin-1-yl]benzamide?
4-[4-[2-[1-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl]piperazin-1-yl]benzamide has a molecular weight of 435.36 g/mol, XLogP of 3.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-[1-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl]piperazin-1-yl]benzamide is sourced from PubChem (CID 86969617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).