N-[3-chloro-4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2-(4-chlorophenyl)acetamide

C20H24Cl2N3O+ — CID 6985418

IUPACN-[3-chloro-4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2-(4-chlorophenyl)acetamide
SMILESCC[NH+]1CCN(c2ccc(NC(=O)Cc3ccc(Cl)cc3)cc2Cl)CC1
InChIInChI=1S/C20H23Cl2N3O/c1-2-24-9-11-25(12-10-24)19-8-7-17(14-18(19)22)23-20(26)13-15-3-5-16(21)6-4-15/h3-8,14H,2,9-13H2,1H3,(H,23,26)/p+1
InChIKeyMAGLNQLAHYOLEP-UHFFFAOYSA-O
MW393.34 g/mol
LogP2.90
Rot. Bonds5

About N-[3-chloro-4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2-(4-chlorophenyl)acetamide

N-[3-chloro-4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2-(4-chlorophenyl)acetamide (PubChem CID 6985418) has the molecular formula C20H24Cl2N3O+ and a molecular weight of 393.34 g/mol. Its IUPAC name is N-[3-chloro-4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2-(4-chlorophenyl)acetamide.

Molecular Properties

Compound NameN-[3-chloro-4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2-(4-chlorophenyl)acetamide
PubChem CID6985418
Molecular FormulaC20H24Cl2N3O+
Molecular Weight393.34 g/mol
Exact Mass392.13
IUPAC NameN-[3-chloro-4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2-(4-chlorophenyl)acetamide
SMILESCC[NH+]1CCN(c2ccc(NC(=O)Cc3ccc(Cl)cc3)cc2Cl)CC1
InChIInChI=1S/C20H23Cl2N3O/c1-2-24-9-11-25(12-10-24)19-8-7-17(14-18(19)22)23-20(26)13-15-3-5-16(21)6-4-15/h3-8,14H,2,9-13H2,1H3,(H,23,26)/p+1
InChIKeyMAGLNQLAHYOLEP-UHFFFAOYSA-O
XLogP2.90
TPSA36.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.34
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[3-chloro-4-(4-ethylpiperazin-4-ium-1-yl)phenyl]propanamide
CID 6957202
N-[3-chloro-4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3-methylbutanamide
CID 7678438
N-[3-chloro-4-(4-ethylpiperazin-4-ium-1-yl)phenyl]furan-2-carboxamide
CID 6957201
2-(4-chlorophenyl)-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 51273382
3-chloro-N-[3-chloro-4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-4-methoxybenzamide
CID 7679043
N-[3-chloro-4-(4-propanoylpiperazin-1-yl)phenyl]-2-phenylacetamide
CID 2997299
N-[3-chloro-4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2-nitrobenzamide
CID 7553469
2-(4-chlorophenyl)-N-[3-chloro-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]acetamide
CID 2994393
N-[3-chloro-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-2-phenylacetamide
CID 979626
N-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 2996154
N-[[3-chloro-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]-2-(4-chlorophenyl)acetamide
CID 4010139
3-butoxy-N-[3-chloro-4-(4-ethylpiperazin-4-ium-1-yl)phenyl]benzamide
CID 2067744

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2-(4-chlorophenyl)acetamide?
The IUPAC name of N-[3-chloro-4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2-(4-chlorophenyl)acetamide (CID 6985418) is N-[3-chloro-4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2-(4-chlorophenyl)acetamide.
What is the SMILES notation for N-[3-chloro-4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2-(4-chlorophenyl)acetamide?
The canonical SMILES for N-[3-chloro-4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2-(4-chlorophenyl)acetamide is CC[NH+]1CCN(c2ccc(NC(=O)Cc3ccc(Cl)cc3)cc2Cl)CC1.
What is the InChIKey of N-[3-chloro-4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2-(4-chlorophenyl)acetamide?
The InChIKey is MAGLNQLAHYOLEP-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H23Cl2N3O/c1-2-24-9-11-25(12-10-24)19-8-7-17(14-18(19)22)23-20(26)13-15-3-5-16(21)6-4-15/h3-8,14H,2,9-13H2,1H3,(H,23,26)/p+1.
What are the key properties of N-[3-chloro-4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2-(4-chlorophenyl)acetamide?
N-[3-chloro-4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2-(4-chlorophenyl)acetamide has a molecular weight of 393.34 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2-(4-chlorophenyl)acetamide is sourced from PubChem (CID 6985418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).